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Chemical compound From Wikipedia, the free encyclopedia
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
|
This template is used on approximately 15,000 pages and changes may be widely noticed. Test changes in the template's /sandbox or /testcases subpages, or in your own user subpage. Consider discussing changes on the talk page before implementing them. |
This template adds an automatically generated short description. If the automatic short description is not optimal, replace it by adding {{Short description}} at the top of the article. |
This template uses Lua: |
This template uses TemplateStyles: |
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".
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 Identifiers
| CASNo =
| PubChem =
<!-- more Identifier parameters here -->
}}
}}
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
}}
| (nextparameter)= <!-- etc. -->
To use, simply copy and paste the left column into the document, filling in whatever you can, and save:
{{Chembox
<!-- Images -->
| ImageFile =
| ImageSize =
| ImageAlt =
<!-- Names -->
| IUPACName =
| OtherNames =
<!-- Sections -->
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
|
To use, simply copy and paste the left column into the document, filling in whatever you can:
{{Chembox
| Reference =
<!-- Names -->
| Name =
| IUPACName =
| PIN =
| SystematicName =
| OtherNames = {{Unbulleted list
| ''name1''
| ''name2''
...
| ''name50''
}}
| data page pagename =
<!-- Images -->
| ImageFile =
| ImageSize =
| ImageAlt =
| ImageName =
| ImageClass =
| ImageCaption =
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageName1 =
| ImageClass1 =
| ImageCaption1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageClass2 =
| ImageCaption2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageClass3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageClassL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageClassR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageClassL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =
| ImageClassR2 =
<!-- Sections -->
| Section1 = {{Chembox Identifiers
| 3DMet =
| Abbreviations =
| Beilstein =
| CASNo =
| CASNo_Comment =
| CASNoOther =
| 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 =
| ProteinBound =
| Dependence_liability =
}}
| Section7 = {{Chembox Hazards
| AutoignitionPt =
| ExploLimits =
| FlashPt =
| LD50 =
| LC50 =
| MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-I =
| NFPA-S =
| PEL =
| REL =
| ExternalSDS =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
}}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
}}
|
. Reference, use <code class="nowrap" style=""><ref>...</ref></code> and add <code class="nowrap" style=""><references /></code> to the page Title (default: article name) IUPAC name The preferred name The systematic name(s) Any other name(s) . . . . . A non-default data page name (default, eg for ammonia: "[[Ammonia (data page)]]") Like filename.svg (not [[file:filename.svg]]) Picture width (default=220px; example: ImageSize=100px) Alt text for picture (example: Fine dry white powder) Image link title Set this to "skin-invert" for black-on-transparent chemical diagrams Picture caption (example: Oxygen in liquid form) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . <span class="nowrap">{{</span>[[Template:Chembox Identifiers|Chembox Identifiers]]<span class="nowrap">}}</span> . 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 . <br/><span class="nowrap">{{</span>[[Template:Chembox Properties|Chembox Properties]]<span class="nowrap">}}</span>: physical properties Atmospheric OH rate constant Its appearance Boiling point description; optional. E.g. "Decomposes at" Temperature, number only. Can be a range: '100 to 200' . Notes on boiling point Density, including unit The molecular formula Henry's law constant (kH) Partition coefficient Molecular weight, including unit Melting point description; optional. E.g. "Decomposes at" Temperature, number only. Can be a range: '100 to 200' . 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 <span class="nowrap">{{</span>[[Template:Chembox Structure|Chembox Structure]]<span class="nowrap">}}</span>: crystal structure Coordination Crystal structure Molecular shape <span class="nowrap">{{</span>[[Template:Chembox Thermochemistry|Chembox Thermochemistry]]<span class="nowrap">}}</span> Delta Gf Delta Hc Delta Hf Entropy Heat capacity <span class="nowrap">{{</span>[[Template:Chembox Explosive|Chembox Explosive]]<span class="nowrap">}}</span> [[Shock sensitivity]] [[Friction sensitivity]] [[Explosive velocity]] [[Relative effectiveness factor]] <span class="nowrap">{{</span>[[Template:Chembox Pharmacology|Chembox Pharmacology]]<span class="nowrap">}}</span>: 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 <span class="nowrap">{{</span>[[Template:ATC|ATC]]<span class="nowrap">}}</span> and/or <span class="nowrap">{{</span>[[Template:ATCvet|ATCvet]]<span class="nowrap">}}</span> 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 AU . Protein Bound . <span class="nowrap">{{</span>[[Template:Chembox Hazards|Chembox Hazards]]<span class="nowrap">}}</span> Autoignition temperature Explosion limits Flash point LD50 LC50 Main hazards [[NFPA 704|NFPA]]-H: Health hazard 0–4 ([[NFPA 704#blue|blue]]) NFPA-F: Fire hazard 0–4 ([[NFPA 704#red|red]]) NFPA-I: Instability (reactivity) hazard 0–4 ([[NFPA 704#yellow|yellow]]) (NFPA-R also allowed) NFPA-S: Special hazards (aka Other; [[NFPA 704#white|white]]): W, OX, COR, ALK, ACID, CRYO, RA PEL . URL for [[Safety data sheet]] . . HPhrases: use the <span class="nowrap">{{</span>[[Template:H-phrases|H-phrases]]<span class="nowrap">}}</span> template for this PPhrases: use the <span class="nowrap">{{</span>[[Template:P-phrases|P-phrases]]<span class="nowrap">}}</span> template for this <span class="nowrap">{{</span>[[Template:Chembox Related|Chembox Related]]<span class="nowrap">}}</span>: related substances Other anions Other cations Other compounds with a given function The given function<br/>Other compounds: adds a chemical 'see also' section |
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
|
Indexed parameters |
---|
Overview | 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 =
| 3DMet=
| 3DMet1=
| 3DMet5=
| 3DMetOther=
| EC_number1=
| EC_number5=
| EC_numberOther=
| RTECS1=
| RTECS5=
| RTECSOther=
|
| CASNo =
| CASNo1 =
| CASNo2 =
| CASNo3 =
| CASNo4 =
| CASNo5 =
| CASNoOther =
Indexed parameters take indexes 'blank', 1–5 (six options together). They should have straight input, such as a correct CAS Registry Number.
CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII, 3DMet, EC_number, RTECS
|_Other=
(like |CASNoOther=
) is available for free text input.When the chembox has multiple substances, you can use the index. Make sure that |CASNo3=
and |SMILES3=
are about the same substance, and |CASNo3=
and |SMILES2=
are not. Treat index "0" the same way:
|CASNo=
is |InChI=
is |SMILES=
|CASNo1=
is |InChI1=
is |SMILES1=
|CASNo=
is not |InChI1=
is not |SMILES4=
By using a parameter like |index2_label=
, you can prefix every #2-input with that same prefix.
{{chembox
| Name = [[Linalool]]
|Section1 = {{Chembox Identifiers
| index_label =
| index1_label = (''R'')
| index2_label = (''S'')
| index_comment = (+/−)-linalool
| index1_comment = (−)-linalool
| index2_comment = (+)-linalool
| CASNo = 78-70-6
| CASNo1 = 126-91-0
| CASNo2 = 126-90-9
| CASNo_Ref = {{cascite|correct|CAS}}
| PubChem = 6549
| PubChem1 = 443158
| PubChem2 = 67179
}}
}}
|_Comment=
option.| CASNo_Comment =
| CASNo1_Comment =
| CASNo5_Comment =
|CASNo_Ref={{cascite|correct|CAS}}
parameter with argument places a small, green check mark, , after the CAS No., which indicates that an editor has confirmed that the CAS No. is correct. A red x in an infobox that follows any identifier means it has not been verified. See WP:CHEMVAL for more details.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. This documentation keeps this arbitrary order:
| Section1 = {{Chembox Identifiers}}
| Section2 = {{Chembox Properties}}
| Section3 = {{Chembox Structure}}
| Section4 = {{Chembox Thermochemistry}}
| Section5 = {{Chembox Explosive}}
| Section6 = {{Chembox Pharmacology}}
| Section7 = {{Chembox Hazards}}
| Section9 = {{Chembox Related}}
Sections that are not used can be safely removed, renumbering is not necessary.
{{Chembox}} can be used to show a subsection only, for example <nowiki>Section3={{Chembox Hazards|...}}</nowiki>
. When set |container_only=yes
: The main {{Chembox}} is not tracked at all (image checks, bot validation categories, etc.), and the Footer (with STP notice) is suppressed. Example: Bromine#Biological role and toxicity. The article will be listed in Category:Chembox container only (47).
The Wikipedia Drugbox and Chembox Maker can be used to automatically generate chembox templates. For quicker access, this tool can be added to the tools section of Wikipedia's left sidebar via User:Qwerfjkl/scripts/chemboxmaker. The Wikipedia template filling tool by Diberri and Boghog is another option for automatic chembox generation but fills fewer fields.
Image parameters for the first images:
{{Chembox
<!-- Other chembox parameters can go here -->
<!-- Row 1/7 -->
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
| ImageFile_Ref =
| ImageClass =
<!-- Row 2/7 -->
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile1_Ref =
| ImageClass1 =
<!-- Row 3/7 -->
| ImageFileL1 =
| ImageNameL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileL1_Ref=
| ImageClassL1 =
| ImageFileR1 =
| ImageNameR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileR1_Ref=
| ImageClassR1 =
| ImageCaptionL1R1=
<!-- More chembox parameters can go here, like |Section1=... -->
}}
Image parameters for an image (example: File1). All are optional.
{{Chembox
| ImageFile1 = Furfural.svg
| 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 =
| ImageFile1_Ref = ref
| ImageClass1 = skin-invert <!-- Use this for black-on-transparent chemical diagrams -->
}}
Adding two images:
{{Chembox
| ImageFile = Furfural.svg
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageClass = skin-invert
| 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
| ImageFileL1 = Furfural.svg
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageClassL1 = skin-invert
| 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.
row 1 | ImageFile | |
row 2 | ImageFile1 | |
row 3 | ImageFileL1 | ImageFileR1 |
row 4 | ImageFile2 | |
row 5 | ImageFileL2 | ImageFileR2 |
row 6 | ImageFile3 | |
row 7 | ImageFileL3 | ImageFileR3 |
This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:
| |||
Names | |||
---|---|---|---|
IUPAC name
example | |||
{{Chembox
| ImageFileL1 = Furfural.svg
| 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
| ImageClassR1 = skin-invert
| 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.
{{Chembox
<!-- Names -->
| Name =
| IUPACName =
| IUPACNames =
| PIN =
| SystematicName =
| OtherNames =
<!-- other parameters -->
}}
|
Infobox title (Pagetitle is default) IUPAC name Using -s makes section header plural Preferred IUPAC name Systematic IUPAC name List of all other name(s) |
Names | |
---|---|
IUPAC names
A, B | |
Preferred IUPAC name
PIN | |
Systematic IUPAC name
SYS | |
Other names
|
{{Chembox
| Name = ''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = {{Unbulleted list|X|Y|Z}}
| show_footer = no
}}
E number, ECHA InfoCard ID, |DTXSID=
(CompTox Chemicals Dashboard) are read from Wikidata.
TemplateData for Chembox
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