テンプレート:Chembox/doc

Main article: Wikipedia:Chemical infobox

Template {{Chembox}} is an 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 |ImageFile= and |IUPACName=), each section is added within this pattern:

{{Chembox
| ImageFile = 
| IUPACName = 
| <!-- more general chembox parameters here -->
| Section1 = {{Chembox Identifier
 | CASNo = 
 | PubChem = 
 }}
}}

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 |section#=. Then a section is defined with "| section# = {{Chembox " and ends with "}}". Sections cannot 'nest': one must close one section with }} before adding another |Section#= {{Chembox ....

The bare parameter list.

Small, simple form

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

{{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 = }} }}

Medium form

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

{{Chembox | Name = | Reference = | IUPACName = | IUPACName_hidden = | PIN = | PIN_hidden = | SystematicName = | OtherNames = <!-- Images --> | 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 = <!-- Sections --> | 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 = }} }}

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) {{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 {{ATC}} and/or {{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 {{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 {{Chembox Structure}}: crystal structure Coordination Crystal structure Molecular shape {{Chembox Thermochemistry}} Delta Gf Delta Hc Delta Hf Entropy Heat capacity {{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 {{Chembox Explosive}} Shock sensitivity Friction sensitivity Explosive velocity Relative effectiveness factor {{Chembox Hazards}} Autoignition temperature EU Class EU Index Explosion limits URL for Material Safety Data Sheet Flash point LD50 Main hazards NFPA-F: Fire hazard 0–4 (red) NFPA-H: Health hazard 0–4 (blue) NFPA-R: Reactivity hazard 0–4 (yellow) NFPA-O: Other hazards ( (white)): W, OX, COR, ALK, ACID, CRYO, RA PEL RPhrases: use the {{R}} template for this SPhrases: use the {{S}} template for this RSPhrases: or use the combination of the two above {{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

Full form

To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:

Long parameter list for {{Chembox}}

Sections parameter lists may be incomplete See also: [[:More on images]] {{Chembox <!-- Values --> | Name = | IUPACName = | IUPACName_hidden = yes | SystematicName = | OtherNames = | Reference = <!-- Chembox style settings --> | width = | style-left-column-width = <!-- Images --> | 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 = }} }} 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

Section subtemplates

The following section subtemplates are available:

• {{Chembox Identifiers}}
• {{Chembox Properties}}
• {{Chembox Structure}}
• {{Chembox Thermochemistry}}
• {{Chembox Pharmacology}}
• {{Chembox Explosive}}
• {{Chembox Hazards}}
• {{Chembox Related}}

And the automated section, that is visible when 'pagename (data page)' exists:

• {{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

...
| section2 = {{Chembox Structure
 | CrystalStruct =
}}
| section1 = {{Chembox Hazards
 | FlashPt =
}}

will show the hazards in top, because section1 < section2. Sections that are not used can be safely removed, renumbering is not necessary.

Adding images

Parameters

Image parameters for the first images:

{{Chembox
<!-- Other chembox parameters can go here -->
<!-- Row 1/9 -->{{Chembox image
|ImageFile = 
|ImageName = 
|ImageSize = 
|ImageAlt = 
|ImageCaption = 
|ImageFile_Ref = 
 }}
<!-- Row 2/9 -->{{Chembox image
|ImageFile1 = 
|ImageName1 = 
|ImageSize1 = 
|ImageAlt1 = 
|ImageCaption1 = 
|ImageFile1_Ref = 
 }}
<!-- Row 3/9 -->{{Chembox image sbs
|ImageFileL1 = 
|ImageNameL1 = 
|ImageSizeL1 = 
|ImageAltL1 = 
|ImageCaptionL1 = 
|ImageFileL1_Ref = 

|ImageFileR1 = 
|ImageNameR1 = 
|ImageSizeR1 = 
|ImageAltR1 = 
|ImageCaptionR1 = 
|ImageFileR1_Ref = 
}}
<!-- More chembox parameters can go here, like sections -->

Examples

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

Chembox/doc
Furfural structure.png A caption shows here
特記なき場合、データは常温（25 °C）・常圧（100 kPa）におけるものである。

{{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
}}

Adding two images:

Chembox/doc
Furfural structure.png
Furfural-3D-vdW.png
特記なき場合、データは常温（25 °C）・常圧（100 kPa）におけるものである。

{{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
}}

This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).

Adding two images, side by side (L1 and R1):

Chembox/doc
特記なき場合、データは常温（25 °C）・常圧（100 kPa）におけるものである。

{{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
}}

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

Multiple images

Chembox images ordering
row 1	ImageFile
row 2	ImageFile1
row 3	ImageFileL1	ImageFileR1
row 4	ImageFileL2	ImageFileR2
row 5	ImageFile2
row 6	ImageFile3
row 7	ImageFileL3	ImageFileR3
row 8	ImageFileL4	ImageFileR4
row 9	ImageFile4

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

Chembox/doc
Water droplet blue bg05.jpg
IUPAC name example
特記なき場合、データは常温（25 °C）・常圧（100 kPa）におけるものである。

{{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
}}

This gives one row with two images, and one row with one image.

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 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 |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).

• Do not {{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 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 | section# = {{Chembox sectionname |" and end with "}}".
• 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

• Adding a parameter to Chembox in code

Subtemplates used by this template

• {{Chembox image}}