Template:Chembox

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Chembox
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Maintenance categories
+cat:No image, no structure drawing (image checks)
+cat:Eponymous image exists (image checks)
+cat:Unverified chembox (verification)

Documentation icon Template documentation[view] [edit] [history] [purge]

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 its own parameters like |ImageFile= and |IUPACName=), each section is added with this pattern (as the value of a parameter |sectionx=.

{{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 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 |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 ....

Keep in mind the advice in the main Infobox documentation to use the {{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 |OtherNames=, since many names use commas within them, and using commas as separators leads to ambiguity. For example:

| 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
 }}


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 = {{Unbulleted list
 | ''name1''
 | ''name2''
 ...
 | ''name50''
 }}
<!-- 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:

Section subtemplates

The following section subtemplates are available:

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

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

Further information: doc/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
Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
A caption shows here
Infobox references

Maintenance categories
+cat:Unverified chembox (verification)

{{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
Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
3D filled-sphere model of the same molecule
Infobox references

Maintenance categories
+cat:Unverified chembox (verification)

{{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
Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen 3D filled-sphere model of the same molecule
Infobox references

Maintenance categories
+cat:Unverified chembox (verification)

{{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

Further information: doc/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
Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen 3D filled-sphere model of the same molecule
Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
Infobox references

Maintenance categories
+cat:Unverified chembox (verification)

{{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.

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

Category:Chembox maintenance categories
Add new parameter
Subtemplates used by this template

See also