テンプレート:Chembox/doc - 版の履歴

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{{main|Wikipedia:Chemical infobox}}
{{Documentation subpage}}
Template {{tlx|Chembox}} is an '''[[WP:INFOBOX|infobox]] for chemicals'''. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".

== Usage ==
{{hatnote|See also: [[:Template:Chembox/doc/full parameter list|full parameter list]]}}
The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).

The sections and their parameters are listed below.

Within the general chembox template (with its own parameters like {{para|ImageFile|}} and {{para|IUPACName|}}), each section is added with this pattern (as the value of a parameter {{Para|Section''x''}}.
<pre>
{{Chembox
| ImageFile =
| IUPACName =

| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =

}}
}}</pre>

In this format, spaces and new lines have no meaning and can be used freely to separate sections (though ''within'' a data value, a space has a meaning, except generally leading and trailing spaces).
Each section has its own number in {{para|Section''#''|}}. Then a section is defined with <code>"|Section# = {{Chembox "</code> and ends with <code>"}}"</code>. Sections cannot 'nest': one must close one section with <code>}}</code> before adding another {{para|Section#| <nowiki>{{Chembox ...</nowiki>}}.

Keep in mind the advice in the main Infobox documentation to use the {{tl|Unbulleted list}} template to present multiple values for a parameter so as to ensure that the values are each started on a new line and tagged appropriately in the underlying markup. This is particularly important with parameters like {{para|OtherNames}}, since many names use commas within them, and using commas as separators leads to ambiguity. For example:
<pre style="overflow: auto">
| OtherNames = {{Unbulleted list
| 2,4,6(1''H'',3''H'',5''H'')-pyrimidinetrione
| 2,4,6-trioxohexahydropyrimidine
| pyrimidinetriol
| malonylurea
| 6-hydroxyuracil
| ''N'',''N''-(1,3-dioxo-1,3-propanediyl)urea
}}
| (next parameter) = 
</pre>

==== Small, simple form ====
To use, simply copy and paste the left column into the document, filling in whatever you can, and save:

{|
|- style="vertical-align:top;"
|
<pre style="overflow: auto">
{{Chembox

| ImageFile =
| ImageSize =
| ImageAlt =

| IUPACName =
| OtherNames =

| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
</pre>
|}

==== Medium form ====

To use, simply copy and paste the left column into the document, filling in whatever you can:

<table><tr><td>
<pre>
{{Chembox
| Reference =

| Name =
| IUPACName =
| PIN =
| SystematicName =
| OtherNames = {{Unbulleted list
| ''name1''
| ''name2''
...
| ''name50''
}}

| ImageFile =
| ImageSize =
| ImageAlt =
| ImageName =
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageName1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =

| Section1 = {{Chembox Identifiers
| 3DMet =
| Abbreviations =
| Beilstein =
| CASNo =
| CASNo_Comment =
| CASOther =
| ChEBI =
| ChemSpiderID =
| EINECS =
| EC_number =
| EC_number_Comment =
| Gmelin =
| InChI =
| KEGG =
| MeSHName =
| PubChem =
| RTECS =
| SMILES =
| UNNumber =
}}
| Section2 = {{Chembox Properties
| AtmosphericOHRateConstant =
| Appearance =
| BoilingPt =
| BoilingPtC =
| BoilingPt_ref =
| BoilingPt_notes =
| Density =
| Formula =
| HenryConstant =
| LogP =
| MolarMass =
| MeltingPt =
| MeltingPtC =
| MeltingPt_ref =
| MeltingPt_notes =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| VaporPressure =
}}
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| DetonationV =
| REFactor =
}}
| Section6 = {{Chembox Pharmacology
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| AdminRoutes =
| Bioavail =
| Excretion =
| HalfLife =
| Metabolism =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
| ProteinBound =
| Dependence_liability =
| Addiction_liability =
}}
| Section7 = {{Chembox Hazards
| AutoignitionPt =
| EUClass =
| ExploLimits =
| ExternalMSDS =
| FlashPt =
| LD50 =
| LC50 =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| PEL =
| REL =
| RPhrases =
| SPhrases =
| RSPhrases =
}}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
}}
</pre>
</td><td>
{{Pre2|scroll|2=
 
Title (default: article name)
Reference, use <ref> </ref> and add <references/> to the page
IUPAC name
The systematic name(s)
Any other name(s)

Like filename.svg (not [[image:filename.svg]])
Picture width (default=200px; example: ImageSize=100px)
Alt text for picture (example: Fine dry white powder)
Picture caption (example: Oxygen in liquid form)

{{tl|Chembox Identifiers}}

Any abbreviations

CAS Number, links to eMolecules

ChEBI, links to EBI

EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=
EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=

InChI, no link
KEGG, links to genome.ad.jp
Medical Subject Headings, links to NIH
PubChem, links to pubchem
RTECS, no link
SMILES, no link

{{tl|Chembox Properties}}: physical properties
Atmospheric OH rate constant
Its appearance
Boiling point, in plain text
Notes on boiling point
Density, including unit
The molecular formula
Henry's law constant (kH)
Partition coefficient
Molecular weight, including unit
Melting point, in plain text
Notes on melting point
pKa
pKb
Solubility in water
Solubility in other solvents, goes together with next
In which solvent it is soluble
Vapor pressure

{{tl|Chembox Structure}}: crystal structure
Coordination
Crystal structure
Molecular shape

{{tl|Chembox Thermochemistry}}
Delta Gf
Delta Hc
Delta Hf
Entropy
Heat capacity

{{tl|Chembox Explosive}}
[[Shock sensitivity]]
[[Friction sensitivity]]
[[Explosive velocity]]
[[Relative effectiveness factor]]

{{tl|Chembox Pharmacology}}: drug data
ATCvet=yes if the next two parameters define an ATCvet code
ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
Other ATC codes (use the {{tl|ATC}} and/or {{tl|ATCvet}} templates)
Admin Routes
Bioavailability
Excretion
Half Life
Metabolism
Legal status
Legal status in AU

Legal status in CA

Legal status in NZ

Legal status in US

Legal status in UK

Legal status in EU

Legal status in UN

Pregnancy Category
Pregnancy Category in US

Pregnancy Category in AU

Protein Bound

{{tl|Chembox Hazards}}
Autoignition temperature
EU Class
EU Index
Explosion limits
URL for [[Safety Data Sheet]]
Flash point
LD50
LC50
Main hazards
[[NFPA 704|NFPA]]-F: Fire hazard 0–4 ([[NFPA 704#red|red]])
NFPA-H: Health hazard 0–4 ([[NFPA 704#blue|blue]])
NFPA-R: Reactivity hazard 0–4 ([[NFPA 704#yellow|yellow]])
NFPA-S: Special hazards (aka Other; [[NFPA 704#white|white]]): W, OX, COR, ALK, ACID, CRYO, RA
PEL
RPhrases: use the {{tl|R}} template for this
SPhrases: use the {{tl|S}} template for this
RSPhrases: or use the combination of the two above

{{tl|Chembox Related}}: related substances
The function
Other anions
Other cations
Other compounds: adds a chemical 'see also' section
Other function:
 
 
}}
</td></td></table>

==== Full form ====
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
{{collapse top|title=Long parameter list for {{tl|Chembox}}|bg=lightgrey}}
{{hatnote|Sections parameter lists may be incomplete}}
{{See also| [[Template:Chembox/doc/images|More on images]]}}
{|
|- style="vertical-align:top;"
|
<pre style = "overflow: auto">
{{Chembox
| Reference =

| Name =
| IUPACName =
| SystematicName =
| OtherNames =

| ImageFile =
| ImageAlt =
| ImageCaption =
| ImageFile1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile2 =
| ImageAlt2 =
| ImageCaption2 =
| ImageFile3 =
| ImageAlt3 =
| ImageCaption3 =
| ImageFile4 =
| ImageAlt4 =
| ImageCaption4 =
| ImageFileL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =

| width =
| style-left-column-width =

| Section1 = {{Chembox Identifiers
| Abbreviations =
| CASNo =
| CASNo_Comment =
| CASNo_Ref =
| CASNos =
| CASOther =
| PubChem =
| PubChem_Comment =
| PubChem5 =
| PubChem5_Comment =
| PubChemOther =
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| EINECS =
| EC_number =
| EC_number_Comment =
| UNNumber =
| DrugBank =
| KEGG =
| MeSHName =
| ChEBI =
| RTECS =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| SMILES =
| InChI =
| Beilstein =
| Gmelin =
| 3DMet = }}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| MeltingPt_notes =
| BoilingPt =
| BoilingPt_notes =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| Sheet Resistance =
| Methacrylate Equiv Wt =
| Bulk Conductivity =
}}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
}}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor =
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| LD50 =
| PEL =
}}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction_label =
| OtherFunction =
| OtherCompounds =
}}
}}
</pre>
|
<pre style = "overflow: auto">
Chembox: Template name
* Name: title above the box (DEFAULT: article name)
* filename.svg ('''not''' [[image:filename.svg]]
* picture size (example: ImageSize = 100px, default = 200px)
* alt text for picture (example: Fine dry white powder)
* Picture caption (example: Oxygen in liquid form)

* the IUPAC name
* hide IUPAC name if very long; show-button is displayed
* the systematic name
* any other name
* reference; include <ref> </ref>s, add <references/> to the page
'''Section Identifiers:''' Standard numbers etc.
* any abbreviations
* CAS Number: links to eMolecules
http://www.commonchemistry.org/

* PubChem: links to http://pubchem.ncbi.nlm.nih.gov;
up to 5 numbers
* PubChem_Comment: comment at the number
* PubChemOther: for other information

* ChemSpider: links to www.chemspider.com; up to 5 numbers

* EINECS: links to ecb; URL is
http://ecb.jrc.it/esis/index.php?GENRE = ECNO&ENTREE =
* also EINECS, but URL is
http://ecb.jrc.it/esis/index.php?GENRE = CASNO&ENTREE =

* KEGG: links to genome.ad.jp
* Medical Subject Headings: links to NIH
* ChEBI: links to EBI
* RTECS: no link
* ATCvet = yes if the next two parameters define an ATCvet code
* ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
* ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
* Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
* SMILES: no link
* InChI: no link

'''Section Properties:''' Physical properties
* the molecular formula
* molecular weight, including unit
* Its appearance
* Density, including unit.
* Melting Point, including unit.
* Notes on melting point.
* Boiling Point, including unit.
* Notes on boiling point.
* Partition coefficient
* Vapor pressure
* Henry's law constant (kH)
* Atmospheric OH rate constant
* pKa
* pKb

* Sheet Resistance
* Methacrylate Equiv Wt
* Bulk Conductivity
'''Section Structure:''' Crystal structure information
* Crystal Structure
* Coordination
* Molecular Shape
'''Section Thermochemistry:''' Thermochemical properties
* Delta Gf
* Delta Hc
* Delta Hf
* Entropy
* Heat Capacity
'''Section Pharmacology:''' Pharmacology/drug data
* Admin Routes
* Bioavailability
* Metabolism
* Half Life
* Protein Bound
* Excretion
* Legal status
* Legal status in US
* Legal status in UK
* Legal status in AU
* Legal status in CA
* Pregnancy Category
* Pregnancy Category in US
* Pregnancy Category in AU
'''Section Explosive:''' Explosive properties
* Shock Sensitivity
* Friction Sensitivity
* Explosive speed
* RE Factor
'''Section Hazards:''' Hazards
* URL for [[Safety Data Sheet]]
* EU Class
* EU Index
* Main Hazards
* NFPA-F: [[NFPA 704#red|NFPA 704]] Fire hazard 0&ndahs;4 (red)
* NFPA-H: [[NFPA 704#blue|NFPA 704]] Health hazard 0&ndahs;4 (blue)
* NFPA-R: [[NFPA 704#yellow|NFPA 704]] Reactivity hazard 0&ndahs;4 (yellow)
* NFPA-O: [[NFPA 704#white|NFPA 704]] Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white)
* RPhrases: use the {{R-phrase}} template for this
* SPhrases: use the ? template for this
* RSPhrases: or use the combination of the two above
* Flash Point
* Autoignition
* Explosion Limits
* LD50
* PEL
'''Section Related:''' Related compounds etc.
* Other Anions
* Other Cations
* Other Function: works with the next field
* Function: the function
* Other Compounds: chemical 'see also' section
-end
</pre>
|}
{{collapse bottom}}

====Indexed parameters====
<div style="float:right;">
<pre>
| CASNo =
| CASNo1 =
| CASNo2 =
| CASNo3 =
| CASNo4 =
| CASNo5 =
| CASNoOther =
</pre>
<pre>
| CASNo_Comment =
| CASNo1_Comment =
| CASNo5_Comment =
</pre>
{{collapse top| title=Indexed parameters| bg=#ddd}}
Overview<br/>(index numbers 2-3-4 omitted):
<pre>
| CASNo =
| CASNo1 =
| CASNo5 =
| CASNoOther =
| ChEBI =
| ChEBI1 =
| ChEBI5 =
| ChEBIOther =
| ChEMBL =
| ChEMBL1 =
| ChEMBL5 =
| ChEMBLOther =
| ChemSpiderID =
| ChemSpiderID1 =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| DrugBank =
| DrugBank1 =
| DrugBank5 =
| DrugBankOther =
| InChI =
| InChI1 =
| InChI5 =
| InChIOther =
| KEGG =
| KEGG1 =
| KEGG5 =
| KEGGOther =
| PubChem =
| PubChem1 =
| PubChem5 =
| PubChemOther =
| SMILES =
| SMILES1 =
| SMILES5 =
| SMILESOther =
| UNII =
| UNII1 =
| UNII5 =
| UNIIOther =
</pre>
{{collapse bottom}}
</div>
Indexed parameters take indexes 'blank'–1–5 (six options). They should have straight input, such as a correct CAS Registry Number. Each parameter can have a comment: {{para| CASNo_Comment}}.

*Eight base parameters are indexed this way, all identifiers:
:<code>CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII</code>

*Then {{para|_Other}} (like {{para|CASNoOther}}) is available for free text input.

;same substance, same index
When the chembox has multiple substances, ''use the index''. Make sure that {{para|CASNo3}} and {{para|SMILES3}} are about the same substance, and {{para|CASNo3}} and {{para|SMILES2}} are ''not''. Treat index "0" the same way:
:{{para|CASNo}} is {{para|InChI}} is {{para|SMILES}}
:{{para|CASNo1}} is {{para|InChI1}} is {{para|SMILES1}}
:{{para|CASNo}} is ''not'' {{para|InChI1}} is ''not'' {{para|SMILES4}}
{{clear}}

==== Section subtemplates ====
The following section subtemplates are available:
* {{tl|Chembox Identifiers}}
* {{tl|Chembox Properties}}
* {{tl|Chembox Structure}}
* {{tl|Chembox Thermochemistry}}
* {{tl|Chembox Explosive}}
* {{tl|Chembox Pharmacology}}
* {{tl|Chembox Hazards}}
* {{tl|Chembox Related}}
And the automated section, that is visible when 'pagename (data page)' exists:
* {{tl|Chembox Supplement}}
See these subsections for their parameter options.

The ''order'' of these sections in the infobox is set by the ''section number'' ({{para|Section#}}) only. Not by the typed sequence. This documentation keeps this arbitrary order:
<pre>
| Section1 = {{Chembox Identifiers}}
| Section2 = {{Chembox Properties}}
| Section3 = {{Chembox Structure}}
| Section4 = {{Chembox Thermochemistry}}
| Section5 = {{Chembox Explosive}}
| Section6 = {{Chembox Pharmacology}}
| Section7 = {{Chembox Hazards}}
| Section9 = {{Chembox Related}}
</pre>
Sections that are not used can be safely removed, renumbering is not necessary.

==Adding images==
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
===Parameters===
Image parameters for the first images:
<pre>
{{Chembox

{{Chembox image
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
| ImageFile_Ref =
}}
{{Chembox image
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile1_Ref =
}}
{{Chembox image sbs
| ImageFileL1 =
| ImageNameL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileL1_Ref =

| ImageFileR1 =
| ImageNameR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileR1_Ref =
}}

}}</pre>
{{Pre2|scroll|2=

}}
</td></td></table>
{{clear}}

===Examples===
Image parameters for an image (example: File1). All are optional.

{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageName1 =
| ImageCaption1 = A caption shows here
| ImageSize1 = 120px
| ImageFile1_Ref =
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageName1 =
| ImageCaption1 = A caption shows here
| ImageSize1 = 120px
| ImageFile1_Ref =ref
}}
</pre>
{{clear}}
Adding two images:
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).
{{clear}}
Adding two images, side by side (L1 and R1):
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives one row with two images. Note that ImageFile is now not supplied.
{{clear}}

===Multiple images===
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
{| class=wikitable border=1 cellpadding=1 style="float:right; font-family:courier; text-align:center"
! colspan=3 style="background:#f8eaba;" | Chembox images ordering
|-
| {{green|row 1}}
| colspan=2 | ImageFile
|-
| {{green|row 2}}
| colspan=2 | ImageFile1
|-
| {{green|row 3}}
| ImageFileL1 || ImageFileR1
|-
| {{green|row 4}}
| ImageFileL2 || ImageFileR2
|-
| {{green|row 5}}
| colspan=2 | ImageFile2
|-
| {{green|row 6}}
| colspan=2 | ImageFile3
|-
| {{green|row 7}}
| ImageFileL3 || ImageFileR3
|-
| {{green|row 8}}
| ImageFileL4 || ImageFileR4
|-
| {{green|row 9}}
| colspan=2 | ImageFile4
|}

This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:

{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageSizeL1 =
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageSizeR1 =
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
}}
</pre>

This gives one row with two images, and one row with one image.
{{clear}}

{{clear}}

==Names==
{{Template:Chembox/doc/names}}
===Example===
{{Chembox
| Name=''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = X<br/>Y<br/>Z
}}
<pre>
{{Chembox
| Name=''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = X<br/>Y<br/>Z
}}</pre>

=== Troubleshooting ===
* When supplying a parameter with a value, and nothing or the wrong value shows up, check:
:* Is the parameter placed in the correct section?
:* Are the sections properly defined? Sections start with <nowiki>| Section# = {{Chembox sectionname |" and end with "}}"</nowiki>.
:* Is there inconsistency in the Section numbering? Available numbers for sections are 1 – 9.

=== Maintenance ===
:[[:Category:Chembox maintenance categories]]

==See also==
{{Navbox Chembox|state=uncollapsed}}
<includeonly>{{#ifeq:{{SUBPAGENAME}}|sandbox||
{{#ifeq:{{PAGENAME}}|Chembox
|[[Category:Chembox templates| ]]
|[[Category:Chembox templates]]
}}}}</includeonly>

WikiSysop: 1版

2015-08-09T03:21:58Z

1版

新規ページ

{{main|Wikipedia:Chemical infobox}}
{{Documentation subpage}}
Template {{tlx|Chembox}} is an '''[[WP:INFOBOX|infobox]] for chemicals'''. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".

== Usage ==

=== Adding a Chembox with its sections ===
The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).

The sections and their parameters are listed below.

Within the general chembox template (with its own parameters like {{para|ImageFile|}} and {{para|IUPACName|}}), each section is added with this pattern (as the value of a parameter {{Para|section''x''}}.
<pre>
{{Chembox
| ImageFile =
| IUPACName =
| ... 
| Section1 = {{Chembox Identifier
| CASNo =
| PubChem =
| ... 
}}
}}</pre>

In this format, spaces and new lines have no meaning and can be used freely to separate sections (though ''within'' a data value, a space has a meaning, except generally leading and trailing spaces).
Each section has its own number in {{para|section''#''|}}. Then a section is defined with <code>"| section# = {{Chembox "</code> and ends with <code>"}}"</code>. Sections cannot 'nest': one must close one section with <code>}}</code> before adding another {{para|Section#| <nowiki>{{Chembox ...</nowiki>}}.

Keep in mind the advice in the main Infobox documentation to use the {{tl|Unbulleted list}} template to present multiple values for a parameter so as to ensure that the values are each started on a new line and tagged appropriately in the underlying markup. This is particularly important with parameters like {{para|OtherNames}}, since many names use commas within them, and using commas as separators leads to ambiguity. For example:
<pre style="overflow: auto">
| OtherNames = {{Unbulleted list
| 2,4,6(1''H'',3''H'',5''H'')-pyrimidinetrione
| 2,4,6-trioxohexahydropyrimidine
| pyrimidinetriol
| malonylurea
| 6-hydroxyuracil
| ''N'',''N''-(1,3-dioxo-1,3-propanediyl)urea
}}
| (next parameter) = 
</pre>

==== Small, simple form ====
To use, simply copy and paste the left column into the document, filling in whatever you can, and save:

{|
|- style="vertical-align:top;"
|
<pre style="overflow: auto">
{{Chembox
| ImageFile =
| ImageSize =
| ImageAlt =
| IUPACName =
| OtherNames =
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
</pre>
|}

==== Medium form ====

To use, simply copy and paste the left column into the document, filling in whatever you can:

<table><tr><td>
<pre>
{{Chembox
| Name =
| Reference =
| IUPACName =
| PIN =
| SystematicName =
| OtherNames = {{Unbulleted list
| ''name1''
| ''name2''
...
| ''name50''
}}

| ImageFile =
| ImageSize =
| ImageAlt =
| ImageName =
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageName1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =

| Section1 = {{Chembox Identifiers
| 3DMet =
| Abbreviations =
| Beilstein =
| CASNo =
| CASNo_Comment =
| CASOther =
| ChEBI =
| ChemSpiderID =
| EINECS =
| EC_number =
| EC_number_Comment =
| Gmelin =
| InChI =
| KEGG =
| MeSHName =
| PubChem =
| RTECS =
| SMILES =
| UNNumber =
}}
| Section2 = {{Chembox Properties
| AtmosphericOHRateConstant =
| Appearance =
| BoilingPt =
| BoilingPtC =
| BoilingPt_ref =
| BoilingPt_notes =
| Density =
| Formula =
| HenryConstant =
| LogP =
| MolarMass =
| MeltingPt =
| MeltingPtC =
| MeltingPt_ref =
| MeltingPt_notes =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| VaporPressure =
}}
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| DetonationV =
| REFactor =
}}
| Section6 = {{Chembox Pharmacology
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| AdminRoutes =
| Bioavail =
| Excretion =
| HalfLife =
| Metabolism =
| DrugBox =
| DrugBox_Comment =
| DrugBox2 =
| DrugBox2_Comment =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
| ProteinBound =
| Dependence_liability =
| Addiction_liability =
}}
| Section7 = {{Chembox Hazards
| AutoignitionPt =
| EUClass =
| ExploLimits =
| ExternalMSDS =
| FlashPt =
| LD50 =
| LC50 =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| PEL =
| REL =
| RPhrases =
| SPhrases =
| RSPhrases =
}}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
}}
</pre>
</td><td>
{{Pre2|scroll|2=
 
Title (default: article name)
Reference, use <ref> </ref> and add <references/> to the page
IUPAC name
The systematic name(s)
Any other name(s)

Like filename.svg (not [[image:filename.svg]])
Picture width (default=200px; example: ImageSize=100px)
Alt text for picture (example: Fine dry white powder)
Picture caption (example: Oxygen in liquid form)

{{tl|Chembox Identifiers}}

Any abbreviations

CAS Number, links to eMolecules

ChEBI, links to EBI

EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=
EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=

InChI, no link
KEGG, links to genome.ad.jp
Medical Subject Headings, links to NIH
PubChem, links to pubchem
RTECS, no link
SMILES, no link

{{tl|Chembox Properties}}: physical properties
Atmospheric OH rate constant
Its appearance
Boiling point, in plain text
Notes on boiling point
Density, including unit
The molecular formula
Henry's law constant (kH)
Partition coefficient
Molecular weight, including unit
Melting point, in plain text
Notes on melting point
pKa
pKb
Solubility in water
Solubility in other solvents, goes together with next
In which solvent it is soluble
Vapor pressure

{{tl|Chembox Structure}}: crystal structure
Coordination
Crystal structure
Molecular shape

{{tl|Chembox Thermochemistry}}
Delta Gf
Delta Hc
Delta Hf
Entropy
Heat capacity

{{tl|Chembox Explosive}}
[[Shock sensitivity]]
[[Friction sensitivity]]
[[Explosive velocity]]
[[Relative effectiveness factor]]

{{tl|Chembox Pharmacology}}: drug data
ATCvet=yes if the next two parameters define an ATCvet code
ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
Other ATC codes (use the {{tl|ATC}} and/or {{tl|ATCvet}} templates)
Admin Routes
Bioavailability
Excretion
Half Life
Metabolism
Legal status
Legal status in AU

Legal status in CA

Legal status in NZ

Legal status in US

Legal status in UK

Legal status in EU

Legal status in UN

Pregnancy Category
Pregnancy Category in US

Pregnancy Category in AU

Protein Bound

{{tl|Chembox Hazards}}
Autoignition temperature
EU Class
EU Index
Explosion limits
URL for [[Safety Data Sheet]]
Flash point
LD50
LC50
Main hazards
[[NFPA 704|NFPA]]-F: Fire hazard 0–4 ([[NFPA 704#red|red]])
NFPA-H: Health hazard 0–4 ([[NFPA 704#blue|blue]])
NFPA-R: Reactivity hazard 0–4 ([[NFPA 704#yellow|yellow]])
NFPA-S: Special hazards (aka Other; [[NFPA 704#white|white]]): W, OX, COR, ALK, ACID, CRYO, RA
PEL
RPhrases: use the {{tl|R}} template for this
SPhrases: use the {{tl|S}} template for this
RSPhrases: or use the combination of the two above

{{tl|Chembox Related}}: related substances
The function
Other anions
Other cations
Other compounds: adds a chemical 'see also' section
Other function:
 
 
}}
</td></td></table>

==== Full form ====
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
{{collapse top|title=Long parameter list for {{tl|Chembox}}|bg=lightgrey}}
{{hatnote|Sections parameter lists may be incomplete}}
{{See also| [[Template:Chembox/doc/images|More on images]]}}
{|
|- style="vertical-align:top;"
|
<pre style = "overflow: auto">
{{Chembox

| Name =
| IUPACName =
| IUPACName_hidden = 
| SystematicName =
| OtherNames =
| Reference =

| width =
| style-left-column-width =

| ImageFile =
| ImageAlt =
| ImageCaption =
| ImageFile1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile2 =
| ImageAlt2 =
| ImageCaption2 =
| ImageFile3 =
| ImageAlt3 =
| ImageCaption3 =
| ImageFile4 =
| ImageAlt4 =
| ImageCaption4 =
| ImageFileL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =

| Section1 = {{Chembox Identifiers
| Abbreviations =
| CASNo =
| CASNo_Comment =
| CASNo_Ref =
| CASNos =
| CASOther =
| PubChem =
| PubChem_Comment =
| PubChem5 =
| PubChem5_Comment =
| PubChemOther =
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| EINECS =
| EC_number =
| EC_number_Comment =
| UNNumber =
| DrugBank =
| KEGG =
| MeSHName =
| ChEBI =
| RTECS =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| SMILES =
| InChI =
| Beilstein =
| Gmelin =
| 3DMet = }}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| MeltingPt_notes =
| BoilingPt =
| BoilingPt_notes =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| Sheet Resistance =
| Methacrylate Equiv Wt =
| Bulk Conductivity =
}}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
}}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor =
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| LD50 =
| PEL =
}}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction_label =
| OtherFunction =
| OtherCompounds =
}}
}}
</pre>
|
<pre style = "overflow: auto">
Chembox: Template name
* Name: title above the box (DEFAULT: article name)
* filename.svg ('''not''' [[image:filename.svg]]
* picture size (example: ImageSize = 100px, default = 200px)
* alt text for picture (example: Fine dry white powder)
* Picture caption (example: Oxygen in liquid form)

* the IUPAC name
* hide IUPAC name if very long; show-button is displayed
* the systematic name
* any other name
* reference; include <ref> </ref>s, add <references/> to the page
'''Section Identifiers:''' Standard numbers etc.
* any abbreviations
* CAS Number: links to eMolecules
http://www.commonchemistry.org/

* PubChem: links to http://pubchem.ncbi.nlm.nih.gov;
up to 5 numbers
* PubChem_Comment: comment at the number
* PubChemOther: for other information

* ChemSpider: links to www.chemspider.com; up to 5 numbers

* EINECS: links to ecb; URL is
http://ecb.jrc.it/esis/index.php?GENRE = ECNO&ENTREE =
* also EINECS, but URL is
http://ecb.jrc.it/esis/index.php?GENRE = CASNO&ENTREE =

* KEGG: links to genome.ad.jp
* Medical Subject Headings: links to NIH
* ChEBI: links to EBI
* RTECS: no link
* ATCvet = yes if the next two parameters define an ATCvet code
* ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
* ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
* Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
* SMILES: no link
* InChI: no link

'''Section Properties:''' Physical properties
* the molecular formula
* molecular weight, including unit
* Its appearance
* Density, including unit.
* Melting Point, including unit.
* Notes on melting point.
* Boiling Point, including unit.
* Notes on boiling point.
* Partition coefficient
* Vapor pressure
* Henry's law constant (kH)
* Atmospheric OH rate constant
* pKa
* pKb

* Sheet Resistance
* Methacrylate Equiv Wt
* Bulk Conductivity
'''Section Structure:''' Crystal structure information
* Crystal Structure
* Coordination
* Molecular Shape
'''Section Thermochemistry:''' Thermochemical properties
* Delta Gf
* Delta Hc
* Delta Hf
* Entropy
* Heat Capacity
'''Section Pharmacology:''' Pharmacology/drug data
* Admin Routes
* Bioavailability
* Metabolism
* Half Life
* Protein Bound
* Excretion
* Legal status
* Legal status in US
* Legal status in UK
* Legal status in AU
* Legal status in CA
* Pregnancy Category
* Pregnancy Category in US
* Pregnancy Category in AU
'''Section Explosive:''' Explosive properties
* Shock Sensitivity
* Friction Sensitivity
* Explosive speed
* RE Factor
'''Section Hazards:''' Hazards
* URL for [[Safety Data Sheet]]
* EU Class
* EU Index
* Main Hazards
* NFPA-F: [[NFPA 704#red|NFPA 704]] Fire hazard 0&ndahs;4 (red)
* NFPA-H: [[NFPA 704#blue|NFPA 704]] Health hazard 0&ndahs;4 (blue)
* NFPA-R: [[NFPA 704#yellow|NFPA 704]] Reactivity hazard 0&ndahs;4 (yellow)
* NFPA-O: [[NFPA 704#white|NFPA 704]] Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white)
* RPhrases: use the {{R-phrase}} template for this
* SPhrases: use the ? template for this
* RSPhrases: or use the combination of the two above
* Flash Point
* Autoignition
* Explosion Limits
* LD50
* PEL
'''Section Related:''' Related compounds etc.
* Other Anions
* Other Cations
* Other Function: works with the next field
* Function: the function
* Other Compounds: chemical 'see also' section
-end
</pre>
|}
{{collapse bottom}}

====Indexed parameters====
<div style="float:right;">
<pre>
| CASNo =
| CASNo1 =
| CASNo2 =
| CASNo3 =
| CASNo4 =
| CASNo5 =
| CASNoOther =
</pre>
<pre>
| CASNo_Comment =
| CASNo1_Comment =
| CASNo5_Comment =
</pre>
{{collapse top| title=Indexed parameters| bg=#ddd}}
Overview<br/>(index numbers 2-3-4 omitted):
<pre>
| CASNo =
| CASNo1 =
| CASNo5 =
| CASNoOther =
| ChEBI =
| ChEBI1 =
| ChEBI5 =
| ChEBIOther =
| ChEMBL =
| ChEMBL1 =
| ChEMBL5 =
| ChEMBLOther =
| ChemSpiderID =
| ChemSpiderID1 =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| DrugBank =
| DrugBank1 =
| DrugBank5 =
| DrugBankOther =
| InChI =
| InChI1 =
| InChI5 =
| InChIOther =
| KEGG =
| KEGG1 =
| KEGG5 =
| KEGGOther =
| PubChem =
| PubChem1 =
| PubChem5 =
| PubChemOther =
| SMILES =
| SMILES1 =
| SMILES5 =
| SMILESOther =
| UNII =
| UNII1 =
| UNII5 =
| UNIIOther =
</pre>
{{collapse bottom}}
</div>
Indexed parameters take indexes 'blank'–1–5 (six options). They should have straight input, such as a correct CAS Registry Number. Each parameter can have a comment: {{para| CASNo_Comment}}.

*Eight base parameters are indexed this way, all identifiers:
:<code>CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII</code>

*Then {{para|_Other}} (like {{para|CASNoOther}}) is available for free text input.

;same substance, same index
When the chembox has multiple substances, ''use the index''. Make sure that {{para|CASNo3}} and {{para|SMILES3}} are about the same substance, and {{para|CASNo3}} and {{para|SMILES2}} are ''not''. Treat index "0" the same way:
:{{para|CASNo}} is {{para|InChI}} is {{para|SMILES}}
:{{para|CASNo1}} is {{para|InChI1}} is {{para|SMILES1}}
:{{para|CASNo}} is ''not'' {{para|InChI1}} is ''not'' {{para|SMILES4}}
{{clear}}

==== Section subtemplates ====
The following section subtemplates are available:
* {{tl|Chembox Identifiers}}
* {{tl|Chembox Properties}}
* {{tl|Chembox Structure}}
* {{tl|Chembox Thermochemistry}}
* {{tl|Chembox Explosive}}
* {{tl|Chembox Pharmacology}}
* {{tl|Chembox Hazards}}
* {{tl|Chembox Related}}
And the automated section, that is visible when 'pagename (data page)' exists:
* {{tl|Chembox Supplement}}
See these subsections for their parameter options.

The ''order'' of these sections in the infobox is set by the ''section number'' ({{para|Section#}}) only. Not by the typed sequence. This documentation keeps this arbitrary order:
<pre>
| Section1 = {{Chembox Identifiers}}
| Section2 = {{Chembox Properties}}
| Section3 = {{Chembox Structure}}
| Section4 = {{Chembox Thermochemistry}}
| Section5 = {{Chembox Explosive}}
| Section6 = {{Chembox Pharmacology}}
| Section7 = {{Chembox Hazards}}
| Section9 = {{Chembox Related}}
</pre>
Sections that are not used can be safely removed, renumbering is not necessary.

==Adding images==
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
===Parameters===
Image parameters for the first images:
<pre>
{{Chembox

{{Chembox image
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
| ImageFile_Ref =
}}
{{Chembox image
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile1_Ref =
}}
{{Chembox image sbs
| ImageFileL1 =
| ImageNameL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileL1_Ref =

| ImageFileR1 =
| ImageNameR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileR1_Ref =
}}

}}</pre>
{{Pre2|scroll|2=

}}
</td></td></table>
{{clear}}

===Examples===
Image parameters for an image (example: File1). All are optional.

{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageName1 =
| ImageCaption1 = A caption shows here
| ImageSize1 = 120px
| ImageFile1_Ref =
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageName1 =
| ImageCaption1 = A caption shows here
| ImageSize1 = 120px
| ImageFile1_Ref =ref
}}
</pre>
{{clear}}
Adding two images:
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).
{{clear}}
Adding two images, side by side (L1 and R1):
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives one row with two images. Note that ImageFile is now not supplied.
{{clear}}

===Multiple images===
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
{| class=wikitable align=right border=1 cellpadding=1 style="font-family:courier; text-align:center"
! colspan=3 style="background:#f8eaba;" | Chembox images ordering
|-
| {{green|row 1}}
| colspan=2 | ImageFile
|-
| {{green|row 2}}
| colspan=2 | ImageFile1
|-
| {{green|row 3}}
| ImageFileL1 || ImageFileR1
|-
| {{green|row 4}}
| ImageFileL2 || ImageFileR2
|-
| {{green|row 5}}
| colspan=2 | ImageFile2
|-
| {{green|row 6}}
| colspan=2 | ImageFile3
|-
| {{green|row 7}}
| ImageFileL3 || ImageFileR3
|-
| {{green|row 8}}
| ImageFileL4 || ImageFileR4
|-
| {{green|row 9}}
| colspan=2 | ImageFile4
|}

This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:

{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageSizeL1 =
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
| show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageSizeR1 =
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
}}
</pre>

This gives one row with two images, and one row with one image.
{{clear}}

{{clear}}
==Names==
{{Template:Chembox/doc/names}}
===Example===
{{Chembox
| Name=''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = X<br/>Y<br/>Z
}}
<pre>
{{Chembox
| Name=''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = X<br/>Y<br/>Z
}}</pre>

=== Troubleshooting ===
* When supplying a parameter with a value, and nothing or the wrong value shows up, check:
:* Is the parameter spelled correct, and capitalised correct?
:* Is the parameter placed in the correct section?
:* Is the parameter supplied twice? It will use the value of the second instance
:* Are the sections properly defined. Sections start with <nowiki>| Section# = {{Chembox sectionname |" and end with "}}"</nowiki>.
:* Is there inconsistency in the sectionnumbering? Available numbers for sections are 1 – 9.

=== Maintenance ===
:[[:Category:Chembox maintenance categories]]

==See also==
{{Navbox Chembox|state=uncollapsed}}
<includeonly>{{#ifeq:{{SUBPAGENAME}}|sandbox||
{{#ifeq:{{PAGENAME}}|Chembox
|[[Category:Chembox templates| ]]
|[[Category:Chembox templates]]
}}}}</includeonly>

Nijcadmin: /* Parameters */

2014-08-27T04:21:33Z

Parameters

← 古い版		2014年8月27日 (水) 13:21時点における版
779行目:		779行目:
	<!-- rh column text?-->		<!-- rh column text?-->
	}}		}}
	</td></td></table>		</td></tr></table>
	{{clear}}		{{clear}}

Nijcadmin: /* Medium form */

2014-08-27T04:21:04Z

Medium form

← 古い版		2014年8月27日 (水) 13:21時点における版
389行目:		389行目:

	}}		}}
	</td></td></table>		</td></tr></table>

	==== Full form ====		==== Full form ====

WikiSysop: 1版

2014-08-22T09:06:54Z

1版

新規ページ

{{pp-template}}
{{main|Wikipedia:Chemical infobox}}
{{Documentation subpage}}

Template {{tlx|Chembox}} is an '''[[WP:INFOBOX|infobox]] for chemicals'''. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".
== Usage ==

=== Adding a Chembox with its sections ===
The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).

The sections and their parameters are listed below.

Within the general chembox template (with its own parameters like {{para|ImageFile|}} and {{para|IUPACName|}}), each section is added with this pattern (as the value of a parameter {{Para|section''x''}}.
<pre>
{{Chembox
| ImageFile =
| IUPACName =
| 
| Section1 = {{Chembox Identifier
| CASNo =
| PubChem =
}}
}}</pre>

In this format, spaces and new lines have no meaning and can be used freely to separate sections (though ''within'' a data value, a space has a meaning, except generally leading and trailing spaces).
Each section has its own number in {{para|section''#''|}}. Then a section is defined with <code>"| section# = {{Chembox "</code> and ends with <code>"}}"</code>. Sections cannot 'nest': one must close one section with <code>}}</code> before adding another {{para|Section#| <nowiki>{{Chembox ...</nowiki>}}.

Keep in mind the advice in the main Infobox documentation to use the {{tl|Unbulleted list}} template to present multiple values for a parameter so as to ensure that the values are each started on a new line and tagged appropriately in the underlying markup. This is particularly important with parameters like {{para|OtherNames}}, since many names use commas within them, and using commas as separators leads to ambiguity. For example:
<pre style="overflow: auto">
| OtherNames = {{Unbulleted list
| 2,4,6(1''H'',3''H'',5''H'')-pyrimidinetrione
| 2,4,6-trioxohexahydropyrimidine
| pyrimidinetriol
| malonylurea
| 6-hydroxyuracil
| ''N'',''N''-(1,3-dioxo-1,3-propanediyl)urea
}}
</pre>

==== Small, simple form ====

To use, simply copy and paste the left column into the document, filling in whatever you can, and save:

{|
|- valign=top
|
<pre style="overflow: auto">
{{Chembox
| ImageFile =
| ImageSize =
| ImageAlt =
| IUPACName =
| OtherNames =
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
</pre>
|}

==== Medium form ====

To use, simply copy and paste the left column into the document, filling in whatever you can:

<table><tr><td>
<pre>
{{Chembox
| Name =
| Reference =
| IUPACName =
| IUPACName_hidden =
| PIN =
| PIN_hidden =
| SystematicName =
| OtherNames = {{Unbulleted list
| ''name1''
| ''name2''
...
| ''name50''
}}

| ImageFile =
| ImageSize =
| ImageAlt =
| ImageName =
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageName1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =

| Section1 = {{Chembox Identifiers
| 3DMet =
| Abbreviations =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| Beilstein =
| CASNo =
| CASNo_Ref =
| CASNos =
| CASOther =
| ChEBI =
| ChemSpiderID =
| DrugBank =
| EC-number =
| EINECS =
| EINECSCASNO =
| Gmelin =
| InChI =
| KEGG =
| MeSHName =
| PubChem =
| RTECS =
| SMILES =
| UNNumber =
}}
| Section2 = {{Chembox Properties
| AtmosphericOHRateConstant =
| Appearance =
| BoilingPt =
| Boiling_notes =
| Density =
| Formula =
| HenryConstant =
| LogP =
| MolarMass =
| MeltingPt =
| Melting_notes =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| VaporPressure =
}}
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Excretion =
| HalfLife =
| Metabolism =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US =
| ProteinBound =
}}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor =
}}
| Section7 = {{Chembox Hazards
| Autoignition =
| EUClass =
| EUIndex =
| ExploLimits =
| ExternalMSDS =
| FlashPt =
| LD50 =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-O =
| PEL =
| RPhrases =
| SPhrases =
| RSPhrases =
}}
| Section8 = {{Chembox Related
| Function =
| OtherAnions =
| OtherCations =
| OtherCpds =
| OtherFunctn =
}}
}}
</pre>
</td><td>
{{Pre2|scroll|2=
 
Title (default: article name)
Reference, use <ref> </ref> and add <references/> to the page
IUPAC name
The systematic name(s)
Any other name(s)

Like filename.svg (not [[image:filename.svg]])
Picture width (default=200px; example: ImageSize=100px)
Alt text for picture (example: Fine dry white powder)
Picture caption (example: Oxygen in liquid form)

{{tl|Chembox Identifiers}}

Any abbreviations
ATCvet=yes if the next two parameters define an ATCvet code
ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
Other ATC codes (use the {{tl|ATC}} and/or {{tl|ATCvet}} templates)
CAS Number, links to eMolecules

ChEBI, links to EBI

EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=
EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=

InChI, no link
KEGG, links to genome.ad.jp
Medical Subject Headings, links to NIH
PubChem, links to pubchem
RTECS, no link
SMILES, no link

{{tl|Chembox Properties}}: physical properties
Atmospheric OH rate constant
Its appearance
Boiling point, in plain text
Notes on boiling point
Density, including unit
The molecular formula
Henry's law constant (kH)
Partition coefficient
Molecular weight, including unit
Melting point, in plain text
Notes on melting point
pKa
pKb
Solubility in water
Solubility in other solvents, goes together with next
In which solvent it is soluble
Vapor pressure

{{tl|Chembox Structure}}: crystal structure
Coordination
Crystal structure
Molecular shape

{{tl|Chembox Thermochemistry}}
Delta Gf
Delta Hc
Delta Hf
Entropy
Heat capacity

{{tl|Chembox Pharmacology}}: drug data
Admin Routes
Bioavailability
Excretion
Half Life
Metabolism
Legal status
Legal status in US
Legal status in UK
Legal status in AU
Legal status in CA
Pregnancy Category
Pregnancy Category in US
Pregnancy Category in AU
Protein Bound

{{tl|Chembox Explosive}}
[[Shock sensitivity]]
[[Friction sensitivity]]
[[Explosive velocity]]
[[Relative effectiveness factor]]

{{tl|Chembox Hazards}}
Autoignition temperature
EU Class
EU Index
Explosion limits
URL for [[Material Safety Data Sheet]]
Flash point
LD50
Main hazards
[[NFPA 704|NFPA]]-F: Fire hazard 0–4 ([[NFPA 704#red|red]])
NFPA-H: Health hazard 0–4 ([[NFPA 704#blue|blue]])
NFPA-R: Reactivity hazard 0–4 ([[NFPA 704#yellow|yellow]])
NFPA-O: Other hazards ( ([[NFPA 704#white|white]])): W, OX, COR, ALK, ACID, CRYO, RA
PEL
RPhrases: use the {{tl|R}} template for this
SPhrases: use the {{tl|S}} template for this
RSPhrases: or use the combination of the two above

{{tl|Chembox Related}}: related compounds etcetera
The function
Other anions
Other cations
Other compounds: adds a chemical 'see also' section
Other function: works with the next field
 
 
}}
</td></td></table>

==== Full form ====
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
{{collapse top|title=Long parameter list for {{tl|Chembox}}|bg=lightgrey}}
{{hatnote|Sections parameter lists may be incomplete}}
{{See also| [[Template:Chembox/doc/images|More on images]]}}
{|
|- valign = top
|
<pre style = "overflow: auto">
{{Chembox

| Name =
| IUPACName =
| IUPACName_hidden = yes
| SystematicName =
| OtherNames =
| Reference =

| width =
| style-left-column-width =

| ImageFile =
| ImageAlt =
| ImageCaption =
| ImageFile1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile2 =
| ImageAlt2 =
| ImageCaption2 =
| ImageFile3 =
| ImageAlt3 =
| ImageCaption3 =
| ImageFile4 =
| ImageAlt4 =
| ImageCaption4 =
| ImageFileL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =

| Section1 = {{Chembox Identifiers
| Abbreviations =
| CASNo =
| CASNo_Comment =
| CASNo_Ref =
| CASNos =
| CASOther =
| PubChem =
| PubChem_Comment =
| PubChem5 =
| PubChem5_Comment =
| PubChemOther =
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| EINECS =
| EC-number =
| EINECSCASNO =
| UNNumber =
| DrugBank =
| KEGG =
| MeSHName =
| ChEBI =
| RTECS =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| SMILES =
| InChI =
| Beilstein =
| Gmelin =
| 3DMet = }}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| Melting_notes =
| BoilingPt =
| Boiling_notes =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| Sheet Resistance =
| Methacrylate Equiv Wt =
| Bulk Conductivity = }}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape = }}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| LD50 =
| PEL = }}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = }}
}}
</pre>
|
<pre style = "overflow: auto">
Chembox: Template name
* Name: title above the box (DEFAULT: article name)
* filename.svg ('''not''' [[image:filename.svg]]
* picture size (example: ImageSize = 100px, default = 200px)
* alt text for picture (example: Fine dry white powder)
* Picture caption (example: Oxygen in liquid form)

* the IUPAC name
* hide IUPAC name if very long; show-button is displayed
* the systematic name
* any other name
* reference; include <ref> </ref>s, add <references/> to the page
'''Section Identifiers:''' Standard numbers etc.
* any abbreviations
* CAS Number: links to eMolecules
http://www.commonchemistry.org/

* PubChem: links to http://pubchem.ncbi.nlm.nih.gov;
up to 5 numbers
* PubChem_Comment: comment at the number
* PubChemOther: for other information

* ChemSpider: links to www.chemspider.com; up to 5 numbers

* EINECS: links to ecb; URL is
http://ecb.jrc.it/esis/index.php?GENRE = ECNO&ENTREE =
* also EINECS, but URL is
http://ecb.jrc.it/esis/index.php?GENRE = CASNO&ENTREE =

* KEGG: links to genome.ad.jp
* Medical Subject Headings: links to NIH
* ChEBI: links to EBI
* RTECS: no link
* ATCvet = yes if the next two parameters define an ATCvet code
* ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
* ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
* Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
* SMILES: no link
* InChI: no link

'''Section Properties:''' Physical properties
* the molecular formula
* molecular weight, including unit
* Its appearance
* Density, including unit.
* Melting Point, including unit.
* Notes on melting point.
* Boiling Point, including unit.
* Notes on boiling point.
* Partition coefficient
* Vapor pressure
* Henry's law constant (kH)
* Atmospheric OH rate constant
* pKa
* pKb

* Sheet Resistance
* Methacrylate Equiv Wt
* Bulk Conductivity
'''Section Structure:''' Crystal structure information
* Crystal Structure
* Coordination
* Molecular Shape
'''Section Thermochemistry:''' Thermochemical properties
* Delta Gf
* Delta Hc
* Delta Hf
* Entropy
* Heat Capacity
'''Section Pharmacology:''' Pharmacology/drug data
* Admin Routes
* Bioavailability
* Metabolism
* Half Life
* Protein Bound
* Excretion
* Legal status
* Legal status in US
* Legal status in UK
* Legal status in AU
* Legal status in CA
* Pregnancy Category
* Pregnancy Category in US
* Pregnancy Category in AU
'''Section Explosive:''' Explosive properties
* Shock Sensitivity
* Friction Sensitivity
* Explosive speed
* RE Factor
'''Section Hazards:''' Hazards
* URL for [[Material Safety Data Sheet
* EU Class
* EU Index
* Main Hazards
* NFPA-F: [[NFPA 704#red|NFPA 704]] Fire hazard 0&ndahs;4 (red)
* NFPA-H: [[NFPA 704#blue|NFPA 704]] Health hazard 0&ndahs;4 (blue)
* NFPA-R: [[NFPA 704#yellow|NFPA 704]] Reactivity hazard 0&ndahs;4 (yellow)
* NFPA-O: [[NFPA 704#white|NFPA 704]] Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white)
* RPhrases: use the {{R-phrase}} template for this
* SPhrases: use the ? template for this
* RSPhrases: or use the combination of the two above
* Flash Point
* Autoignition
* Explosion Limits
* LD50
* PEL
'''Section Related:''' Related compounds etc.
* Other Anions
* Other Cations
* Other Function: works with the next field
* Function: the function
* Other Compounds: chemical 'see also' section
-end
</pre>
|}
{{collapse bottom}}

==== Section subtemplates ====
The following section subtemplates are available:
* {{tl|Chembox Identifiers}}
* {{tl|Chembox Properties}}
* {{tl|Chembox Structure}}
* {{tl|Chembox Thermochemistry}}
* {{tl|Chembox Pharmacology}}
* {{tl|Chembox Explosive}}
* {{tl|Chembox Hazards}}
* {{tl|Chembox Related}}
And the automated section, that is visible when 'pagename (data page)' exists:
* {{tl|Chembox Supplement}}
See these subsections for their parameter options.

The ''order'' of these sections in the infobox is set by the ''section number'' (section#) only. Not by the typed sequence. So
<pre>
...
| section2 = {{Chembox Structure
| CrystalStruct =
}}
| section1 = {{Chembox Hazards
| FlashPt =
}}
</pre>
will show the hazards in top, because section1 < section2.
Sections that are not used can be safely removed, renumbering is not necessary.

==Adding images==
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
===Parameters===
Image parameters for the first images:
<pre>
{{Chembox

{{Chembox image
|ImageFile =
|ImageName =
|ImageSize =
|ImageAlt =
|ImageCaption =
|ImageFile_Ref =
}}
{{Chembox image
|ImageFile1 =
|ImageName1 =
|ImageSize1 =
|ImageAlt1 =
|ImageCaption1 =
|ImageFile1_Ref =
}}
{{Chembox image sbs
|ImageFileL1 =
|ImageNameL1 =
|ImageSizeL1 =
|ImageAltL1 =
|ImageCaptionL1 =
|ImageFileL1_Ref =

|ImageFileR1 =
|ImageNameR1 =
|ImageSizeR1 =
|ImageAltR1 =
|ImageCaptionR1 =
|ImageFileR1_Ref =
}}
</pre>
{{Pre2|scroll|2=

}}
</td></td></table>
{{clear}}

===Examples===
Image parameters for an image (example: File1). All are optional.

{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
|ImageName1 =
|ImageCaption1 = A caption shows here
|ImageSize1 = 120px
|ImageFile1_Ref =
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
|ImageName1 =
|ImageCaption1 = A caption shows here
|ImageSize1 = 120px
|ImageFile1_Ref =ref
}}
</pre>
{{clear}}
Adding two images:
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).
{{clear}}
Adding two images, side by side (L1 and R1):
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives one row with two images. Note that ImageFile is now not supplied.
{{clear}}

===Multiple images===
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
{| class=wikitable align=right border=1 cellpadding=1 style="font-family:courier; text-align:center"
! colspan=3 style="background:#f8eaba;" | Chembox images ordering
|-
| {{green|row 1}}
| colspan=2 | ImageFile
|-
| {{green|row 2}}
| colspan=2 | ImageFile1
|-
| {{green|row 3}}
| ImageFileL1 || ImageFileR1
|-
| {{green|row 4}}
| ImageFileL2 || ImageFileR2
|-
| {{green|row 5}}
| colspan=2 | ImageFile2
|-
| {{green|row 6}}
| colspan=2 | ImageFile3
|-
| {{green|row 7}}
| ImageFileL3 || ImageFileR3
|-
| {{green|row 8}}
| ImageFileL4 || ImageFileR4
|-
| {{green|row 9}}
| colspan=2 | ImageFile4
|}

This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:

{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageSizeL1 =
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageSizeR1 =
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
}}
</pre>

This gives one row with two images, and one row with one image.
{{clear}}

== Advanced and explanations ==

=== "Table creep" ===

The Chembox can handle a lot of parameters, and new ones can easily be added (even more than are shown in the full format). This may result in huge tables in the end. When the table becomes too big, please consider creating a data page 'pagename (data page)', and moving data into that page. Chembox will automagically recognise the existence of the data page, a new box will show, which will have some links into the data page.

===More considerations===
* Copy the template from one of the forms [[#Getting a Chembox|below]] into the top of the document, and add data to the fields. Don't worry about trying to fill in all the fields -- even if you can only get the basics, that can still be very useful.

* The order of section numbers does effect the actual order in the final document. If a chemical compound would e.g. both be an explosive and a drug, but the drug properties are more important, consider giving the drug-section a lower sectionnumber than the explosive-section, and the drug-section will appear above the explosive-section. The actual numbering of the sections does not matter (as long as the numbers are in the range 1–15) as long as no duplicate sections are defined.

* Do not delete parameters that you don't know the data for, empty parameters (like {{para|BoilingPt|}}) will just not give a row in the result, and sections without data will simply not show up. Other editors may just fill in the fields that are empty. You can delete sections which are not applicable for the compound (see [[#Extra sections/fields|extra sections/fields]]).

* Do not {{tl|subst}} this template, empty fields will not show up, and when formatting changes are applied to the template, it will not be visible in ''all'' documents transcluding the Chembox. The substituted template is an unintelligible gibberish of esoteric template code, and certain parts will not transclude. Keeping it un-subst-ed makes placing the data even more easy, and saves a lot of space on a page (the unsubsted Chembox is on an average page about 1000 bytes smaller than a fully transcluded Chembox).

* For the sub-box supplement to show up, the supplementary page "pagename (data page)" has to be available. When the Chembox grows too big, consider starting a datapage and move data from the Chembox into that page.

* For alt text with inages, please see ''[[Wikipedia:Alternative text for images]]'', particularly its ''[[Wikipedia:Alternative text for images #Chemistry|Chemistry]]'' section.

=== Troubleshooting ===
* When supplying a parameter with a value, and nothing or the wrong value shows up, check:
:* Is the parameter placed in the correct section?
:* Is the parameter supplied twice? It will use the value of the second instance
:* Are the sections properly defined. Sections start with <nowiki>| section# = {{Chembox sectionname |" and end with "}}"</nowiki>.
:* Is there inconsistency in the sectionnumbering? Available numbers for sections are 1 - 15, do not use a sectionnumber twice, that will only result in the second section showing up.
:* Is the capitalisation of the parameter correct? "Formula" works, "FORMULA" does not.

=== Technical and maintenance issues ===
* [[Wikipedia:Chemical infobox/Maintenance categories]]
:[[:Category:Chembox maintenance categories]]

;Add new parameter
* [[Template:Chembox/doc/Adding a parameter to Chembox|Adding a parameter to Chembox]] in code

:Subtemplates used by this template
* {{tl|Chembox image}}

==See also==
{{Navbox Chembox|state=uncollapsed}}
<includeonly>{{#ifeq:{{SUBPAGENAME}}|sandbox||

[[Category:Chembox templates| ]]
}}</includeonly>

WikiSysop: 1版

2014-04-25T12:24:40Z

1版

新規ページ

{{pp-template}}
{{main|Wikipedia:Chemical infobox}}
{{Documentation subpage}}

Template {{tlx|Chembox}} is an '''[[WP:INFOBOX|infobox]] for chemicals'''. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".
== Usage ==

=== Adding a Chembox with its sections ===
The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).

The sections and their parameters are listed below.

Within the general chembox template (with his own parameters like {{para|ImageFile|}} and {{para|IUPACName|}}), each section is added within this pattern:
<pre>
{{Chembox
| ImageFile =
| IUPACName =
| 
| Section1 = {{Chembox Identifier
| CASNo =
| PubChem =
}}
}}</pre>

In this format, spaces and new lines have no meaning and can be used freely to keep overview (of course, ''within'' a data value a space has a meaning).
Each section has its own number in {{para|section''#''|}}. Then a section is defined with <code>"| section# = {{Chembox "</code> and ends with <code>"}}"</code>. Sections cannot 'nest': one must close one section with <code>}}</code> before adding another {{para|Section#| <nowiki>{{Chembox ...</nowiki>}}.

:The bare [[Template:Chembox/doc/parameter list|parameter list]].
==== Small, simple form ====

To use, simply copy and paste the left column into the document, filling in whatever you can, and save:

{|
|- valign=top
|
<pre style="overflow: auto">
{{Chembox
| ImageFile =
| ImageSize =
| ImageAlt =
| IUPACName =
| OtherNames =
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
</pre>
|}

==== Medium form ====

To use, simply copy and paste the left column into the document, filling in whatever you can:

<table><tr><td>
<pre>
{{Chembox
| Name =
| Reference =
| IUPACName =
| IUPACName_hidden =
| PIN =
| PIN_hidden =
| SystematicName =
| OtherNames =

| ImageFile =
| ImageSize =
| ImageAlt =
| ImageName =
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageName1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =

| Section1 = {{Chembox Identifiers
| 3DMet =
| Abbreviations =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| Beilstein =
| CASNo =
| CASNo_Ref =
| CASNos =
| CASOther =
| ChEBI =
| ChemSpiderID =
| DrugBank =
| EC-number =
| EINECS =
| EINECSCASNO =
| Gmelin =
| InChI =
| KEGG =
| MeSHName =
| PubChem =
| RTECS =
| SMILES =
| UNNumber =
}}
| Section2 = {{Chembox Properties
| AtmosphericOHRateConstant =
| Appearance =
| BoilingPt =
| Boiling_notes =
| Density =
| Formula =
| HenryConstant =
| LogP =
| MolarMass =
| MeltingPt =
| Melting_notes =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| VaporPressure =
}}
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Excretion =
| HalfLife =
| Metabolism =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US =
| ProteinBound =
}}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor =
}}
| Section7 = {{Chembox Hazards
| Autoignition =
| EUClass =
| EUIndex =
| ExploLimits =
| ExternalMSDS =
| FlashPt =
| LD50 =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-O =
| PEL =
| RPhrases =
| SPhrases =
| RSPhrases =
}}
| Section8 = {{Chembox Related
| Function =
| OtherAnions =
| OtherCations =
| OtherCpds =
| OtherFunctn =
}}
}}
</pre>
</td><td>
{{Pre2|scroll|2=
 
Title (default: article name)
Reference, use <ref> </ref> and add <references/> to the page
IUPAC name
The systematic name(s)
Any other name(s)

Like filename.svg (not [[image:filename.svg]])
Picture width (default=200px; example: ImageSize=100px)
Alt text for picture (example: Fine dry white powder)
Picture caption (example: Oxygen in liquid form)

{{tl|Chembox Identifiers}}

Any abbreviations
ATCvet=yes if the next two parameters define an ATCvet code
ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
Other ATC codes (use the {{tl|ATC}} and/or {{tl|ATCvet}} templates)
CAS Number, links to eMolecules

ChEBI, links to EBI

EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=
EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=

InChI, no link
KEGG, links to genome.ad.jp
Medical Subject Headings, links to NIH
PubChem, links to pubchem
RTECS, no link
SMILES, no link

{{tl|Chembox Properties}}: physical properties
Atmospheric OH rate constant
Its appearance
Boiling point, in plain text
Notes on boiling point
Density, including unit
The molecular formula
Henry's law constant (kH)
Partition coefficient
Molecular weight, including unit
Melting point, in plain text
Notes on melting point
pKa
pKb
Solubility in water
Solubility in other solvents, goes together with next
In which solvent it is soluble
Vapor pressure

{{tl|Chembox Structure}}: crystal structure
Coordination
Crystal structure
Molecular shape

{{tl|Chembox Thermochemistry}}
Delta Gf
Delta Hc
Delta Hf
Entropy
Heat capacity

{{tl|Chembox Pharmacology}}: drug data
Admin Routes
Bioavailability
Excretion
Half Life
Metabolism
Legal status
Legal status in US
Legal status in UK
Legal status in AU
Legal status in CA
Pregnancy Category
Pregnancy Category in US
Pregnancy Category in AU
Protein Bound

{{tl|Chembox Explosive}}
[[Shock sensitivity]]
[[Friction sensitivity]]
[[Explosive velocity]]
[[Relative effectiveness factor]]

{{tl|Chembox Hazards}}
Autoignition temperature
EU Class
EU Index
Explosion limits
URL for [[Material Safety Data Sheet]]
Flash point
LD50
Main hazards
[[NFPA 704|NFPA]]-F: Fire hazard 0–4 ([[NFPA 704#red|red]])
NFPA-H: Health hazard 0–4 ([[NFPA 704#blue|blue]])
NFPA-R: Reactivity hazard 0–4 ([[NFPA 704#yellow|yellow]])
NFPA-O: Other hazards ( ([[NFPA 704#white|white]])): W, OX, COR, ALK, ACID, CRYO, RA
PEL
RPhrases: use the {{tl|R}} template for this
SPhrases: use the {{tl|S}} template for this
RSPhrases: or use the combination of the two above

{{tl|Chembox Related}}: related compounds etcetera
The function
Other anions
Other cations
Other compounds: adds a chemical 'see also' section
Other function: works with the next field
 
 
}}
</td></td></table>

==== Full form ====
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
{{collapse top|title=Long parameter list for {{tl|Chembox}}|bg=lightgrey}}
{{hatnote|Sections parameter lists may be incomplete}}
{{See also| [[Template:Chembox/doc/images|More on images]]}}
{|
|- valign = top
|
<pre style = "overflow: auto">
{{Chembox

| Name =
| IUPACName =
| IUPACName_hidden = yes
| SystematicName =
| OtherNames =
| Reference =

| width =
| style-left-column-width =

| ImageFile =
| ImageAlt =
| ImageCaption =
| ImageFile1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile2 =
| ImageAlt2 =
| ImageCaption2 =
| ImageFile3 =
| ImageAlt3 =
| ImageCaption3 =
| ImageFile4 =
| ImageAlt4 =
| ImageCaption4 =
| ImageFileL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =

| Section1 = {{Chembox Identifiers
| Abbreviations =
| CASNo =
| CASNo_Comment =
| CASNo_Ref =
| CASNos =
| CASOther =
| PubChem =
| PubChem_Comment =
| PubChem5 =
| PubChem5_Comment =
| PubChemOther =
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| EINECS =
| EC-number =
| EINECSCASNO =
| UNNumber =
| DrugBank =
| KEGG =
| MeSHName =
| ChEBI =
| RTECS =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| SMILES =
| InChI =
| Beilstein =
| Gmelin =
| 3DMet = }}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| Melting_notes =
| BoilingPt =
| Boiling_notes =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| Sheet Resistance =
| Methacrylate Equiv Wt =
| Bulk Conductivity = }}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape = }}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| LD50 =
| PEL = }}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = }}
}}
</pre>
|
<pre style = "overflow: auto">
Chembox: Template name
* Name: title above the box (DEFAULT: article name)
* filename.svg ('''not''' [[image:filename.svg]]
* picture size (example: ImageSize = 100px, default = 200px)
* alt text for picture (example: Fine dry white powder)
* Picture caption (example: Oxygen in liquid form)

* the IUPAC name
* hide IUPAC name if very long; show-button is displayed
* the systematic name
* any other name
* reference; include <ref> </ref>s, add <references/> to the page
'''Section Identifiers:''' Standard numbers etc.
* any abbreviations
* CAS Number: links to eMolecules
http://www.commonchemistry.org/

* PubChem: links to http://pubchem.ncbi.nlm.nih.gov;
up to 5 numbers
* PubChem_Comment: comment at the number
* PubChemOther: for other information

* ChemSpider: links to www.chemspider.com; up to 5 numbers

* EINECS: links to ecb; URL is
http://ecb.jrc.it/esis/index.php?GENRE = ECNO&ENTREE =
* also EINECS, but URL is
http://ecb.jrc.it/esis/index.php?GENRE = CASNO&ENTREE =

* KEGG: links to genome.ad.jp
* Medical Subject Headings: links to NIH
* ChEBI: links to EBI
* RTECS: no link
* ATCvet = yes if the next two parameters define an ATCvet code
* ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
* ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
* Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
* SMILES: no link
* InChI: no link

'''Section Properties:''' Physical properties
* the molecular formula
* molecular weight, including unit
* Its appearance
* Density, including unit.
* Melting Point, including unit.
* Notes on melting point.
* Boiling Point, including unit.
* Notes on boiling point.
* Partition coefficient
* Vapor pressure
* Henry's law constant (kH)
* Atmospheric OH rate constant
* pKa
* pKb

* Sheet Resistance
* Methacrylate Equiv Wt
* Bulk Conductivity
'''Section Structure:''' Crystal structure information
* Crystal Structure
* Coordination
* Molecular Shape
'''Section Thermochemistry:''' Thermochemical properties
* Delta Gf
* Delta Hc
* Delta Hf
* Entropy
* Heat Capacity
'''Section Pharmacology:''' Pharmacology/drug data
* Admin Routes
* Bioavailability
* Metabolism
* Half Life
* Protein Bound
* Excretion
* Legal status
* Legal status in US
* Legal status in UK
* Legal status in AU
* Legal status in CA
* Pregnancy Category
* Pregnancy Category in US
* Pregnancy Category in AU
'''Section Explosive:''' Explosive properties
* Shock Sensitivity
* Friction Sensitivity
* Explosive speed
* RE Factor
'''Section Hazards:''' Hazards
* URL for [[Material Safety Data Sheet
* EU Class
* EU Index
* Main Hazards
* NFPA-F: [[NFPA 704#red|NFPA 704]] Fire hazard 0&ndahs;4 (red)
* NFPA-H: [[NFPA 704#blue|NFPA 704]] Health hazard 0&ndahs;4 (blue)
* NFPA-R: [[NFPA 704#yellow|NFPA 704]] Reactivity hazard 0&ndahs;4 (yellow)
* NFPA-O: [[NFPA 704#white|NFPA 704]] Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white)
* RPhrases: use the {{R-phrase}} template for this
* SPhrases: use the ? template for this
* RSPhrases: or use the combination of the two above
* Flash Point
* Autoignition
* Explosion Limits
* LD50
* PEL
'''Section Related:''' Related compounds etc.
* Other Anions
* Other Cations
* Other Function: works with the next field
* Function: the function
* Other Compounds: chemical 'see also' section
-end
</pre>
|}
{{collapse bottom}}

==== Section subtemplates ====
The following section subtemplates are available:
* {{tl|Chembox Identifiers}}
* {{tl|Chembox Properties}}
* {{tl|Chembox Structure}}
* {{tl|Chembox Thermochemistry}}
* {{tl|Chembox Pharmacology}}
* {{tl|Chembox Explosive}}
* {{tl|Chembox Hazards}}
* {{tl|Chembox Related}}
And the automated section, that is visible when 'pagename (data page)' exists:
* {{tl|Chembox Supplement}}
See these subsections for their parameter options.

The ''order'' of these sections in the infobox is set by the ''section number'' (section#) only. Not by the typed sequence. So
<pre>
...
| section2 = {{Chembox Structure
| CrystalStruct =
}}
| section1 = {{Chembox Hazards
| FlashPt =
}}
</pre>
will show the hazards in top, because section1 < section2.
Sections that are not used can be safely removed, renumbering is not necessary.

==Adding images==
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
===Parameters===
Image parameters for the first images:
<pre>
{{Chembox

{{Chembox image
|ImageFile =
|ImageName =
|ImageSize =
|ImageAlt =
|ImageCaption =
|ImageFile_Ref =
}}
{{Chembox image
|ImageFile1 =
|ImageName1 =
|ImageSize1 =
|ImageAlt1 =
|ImageCaption1 =
|ImageFile1_Ref =
}}
{{Chembox image sbs
|ImageFileL1 =
|ImageNameL1 =
|ImageSizeL1 =
|ImageAltL1 =
|ImageCaptionL1 =
|ImageFileL1_Ref =

|ImageFileR1 =
|ImageNameR1 =
|ImageSizeR1 =
|ImageAltR1 =
|ImageCaptionR1 =
|ImageFileR1_Ref =
}}
</pre>
{{Pre2|scroll|2=

}}
</td></td></table>
{{clear}}

===Examples===
Image parameters for an image (example: File1). All are optional.

{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
|ImageName1 =
|ImageCaption1 = A caption shows here
|ImageSize1 = 120px
|ImageFile1_Ref =
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile1 = Furfural structure.png
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
|ImageName1 =
|ImageCaption1 = A caption shows here
|ImageSize1 = 120px
|ImageFile1_Ref =ref
}}
</pre>
{{clear}}
Adding two images:
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFile = Furfural structure.png
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).
{{clear}}
Adding two images, side by side (L1 and R1):
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
}}
</pre>

This gives one row with two images. Note that ImageFile is now not supplied.
{{clear}}

===Multiple images===
{{further information|[[Template:Chembox/doc/images|doc/images]]}}
{| class=wikitable align=right border=1 cellpadding=1 style="font-family:courier; text-align:center"
! colspan=3 style="background:#f8eaba;" | Chembox images ordering
|-
| {{green|row 1}}
| colspan=2 | ImageFile
|-
| {{green|row 2}}
| colspan=2 | ImageFile1
|-
| {{green|row 3}}
| ImageFileL1 || ImageFileR1
|-
| {{green|row 4}}
| ImageFileL2 || ImageFileR2
|-
| {{green|row 5}}
| colspan=2 | ImageFile2
|-
| {{green|row 6}}
| colspan=2 | ImageFile3
|-
| {{green|row 7}}
| ImageFileL3 || ImageFileR3
|-
| {{green|row 8}}
| ImageFileL4 || ImageFileR4
|-
| {{green|row 9}}
| colspan=2 | ImageFile4
|}

This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:

{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageSizeL1 =
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
| Show_ss_note=no
}}
<pre style="overflow: auto">
{{Chembox
| ImageFileL1 = Furfural structure.png
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageSizeR1 =
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
}}
</pre>

This gives one row with two images, and one row with one image.
{{clear}}

== Advanced and explanations ==

=== "Table creep" ===

The Chembox can handle a lot of parameters, and new ones can easily be added (even more than are shown in the full format). This may result in huge tables in the end. When the table becomes too big, please consider creating a data page 'pagename (data page)', and moving data into that page. Chembox will automagically recognise the existence of the data page, a new box will show, which will have some links into the data page.

===More considerations===
* Copy the template from one of the forms [[#Getting a Chembox|below]] into the top of the document, and add data to the fields. Don't worry about trying to fill in all the fields -- even if you can only get the basics, that can still be very useful.

* The order of section numbers does effect the actual order in the final document. If a chemical compound would e.g. both be an explosive and a drug, but the drug properties are more important, consider giving the drug-section a lower sectionnumber than the explosive-section, and the drug-section will appear above the explosive-section. The actual numbering of the sections does not matter (as long as the numbers are in the range 1–15) as long as no duplicate sections are defined.

* Do not delete parameters that you don't know the data for, empty parameters (like {{para|BoilingPt|}}) will just not give a row in the result, and sections without data will simply not show up. Other editors may just fill in the fields that are empty. You can delete sections which are not applicable for the compound (see [[#Extra sections/fields|extra sections/fields]]).

* Do not {{tl|subst}} this template, empty fields will not show up, and when formatting changes are applied to the template, it will not be visible in ''all'' documents transcluding the Chembox. The substituted template is an unintelligible gibberish of esoteric template code, and certain parts will not transclude. Keeping it un-subst-ed makes placing the data even more easy, and saves a lot of space on a page (the unsubsted Chembox is on an average page about 1000 bytes smaller than a fully transcluded Chembox).

* For the sub-box supplement to show up, the supplementary page "pagename (data page)" has to be available. When the Chembox grows too big, consider starting a datapage and move data from the Chembox into that page.

* For alt text with inages, please see ''[[Wikipedia:Alternative text for images]]'', particularly its ''[[Wikipedia:Alternative text for images #Chemistry|Chemistry]]'' section.

=== Troubleshooting ===
* When supplying a parameter with a value, and nothing or the wrong value shows up, check:
:* Is the parameter placed in the correct section?
:* Is the parameter supplied twice? It will use the value of the second instance
:* Are the sections properly defined. Sections start with <nowiki>| section# = {{Chembox sectionname |" and end with "}}"</nowiki>.
:* Is there inconsistency in the sectionnumbering? Available numbers for sections are 1 - 15, do not use a sectionnumber twice, that will only result in the second section showing up.
:* Is the capitalisation of the parameter correct? "Formula" works, "FORMULA" does not.

=== Technical and maintenance issues ===
* [[Wikipedia:Chemical infobox/Maintenance categories]]
:[[:Category:Chembox maintenance categories]]

;Ad new parameter
* [[Template:Chembox/doc/Adding a parameter to Chembox|Adding a parameter to Chembox]] in code

:Subtemplates used by this template
* {{tl|Chembox image}}

==See also==
{{Navbox Chembox|state=uncollapsed}}
<includeonly>{{#ifeq:{{SUBPAGENAME}}|sandbox||

[[Category:Chembox templates| ]]
}}</includeonly>