ଛାଞ୍ଚ:Chembox
ଉଇକିପିଡ଼ିଆ ଛାଞ୍ଚ / From Wikipedia, the free encyclopedia
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa) | |
Infobox references | |
Maintenance categories |
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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
- See also: 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 |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 }} | (next parameter) = <!-- etc. -->
Small, simple form
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 = }} }} |
Medium form
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'' }} <!-- 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 = | 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 = | ExploLimits = | FlashPt = | LD50 = | LC50 = | MainHazards = | NFPA-F = | NFPA-H = | NFPA-R = | NFPA-S = | PEL = | REL = | ExternalSDS = | GHSPictograms = | GHSSignalWord = | HPhrases = | PPhrases = }} | Section9 = {{Chembox Related | OtherAnions = | OtherCations = | OtherFunction = | OtherFunction_label = | OtherCompounds = }} }} |
<br /> <br />Title (default: article name)<br />Reference, use <ref> </ref> and add <references/> to the page<br />IUPAC name<br />The systematic name(s)<br />Any other name(s)<br /><br />Like filename.svg (not [[image:filename.svg]])<br />Picture width (default=200px; example: ImageSize=100px)<br />Alt text for picture (example: Fine dry white powder)<br />Picture caption (example: Oxygen in liquid form)<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Identifiers|Chembox Identifiers]]<span class="nowrap">}}</span><br /><br />Any abbreviations<br /><br />CAS Number, links to eMolecules<br /><br />ChEBI, links to EBI<br /><br />EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=<br />EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=<br /><br />InChI, no link<br />KEGG, links to genome.ad.jp<br />Medical Subject Headings, links to NIH<br />PubChem, links to pubchem<br />RTECS, no link<br />SMILES, no link<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Properties|Chembox Properties]]<span class="nowrap">}}</span>: physical properties<br />Atmospheric OH rate constant<br />Its appearance<br />Boiling point, in plain text<br />Notes on boiling point<br />Density, including unit<br />The molecular formula<br />Henry's law constant (kH)<br />Partition coefficient<br />Molecular weight, including unit<br />Melting point, in plain text<br />Notes on melting point<br />pKa<br />pKb<br />Solubility in water<br />Solubility in other solvents, goes together with next<br />In which solvent it is soluble<br />Vapor pressure<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Structure|Chembox Structure]]<span class="nowrap">}}</span>: crystal structure<br />Coordination<br />Crystal structure<br />Molecular shape<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Thermochemistry|Chembox Thermochemistry]]<span class="nowrap">}}</span><br /><br />Delta Gf<br />Delta Hc<br />Delta Hf<br />Entropy<br />Heat capacity<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Explosive|Chembox Explosive]]<span class="nowrap">}}</span><br /><br />[[Shock sensitivity]]<br />[[Friction sensitivity]]<br />[[Explosive velocity]]<br />[[Relative effectiveness factor]]<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Pharmacology|Chembox Pharmacology]]<span class="nowrap">}}</span>: drug data<br />ATCvet=yes if the next two parameters define an ATCvet code<br />ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link<br />ATCCode suffix (last 4 characters), full ATC links to WHO C.C.<br />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)<br />Admin Routes<br />Bioavailability<br />Excretion<br />Half Life<br />Metabolism<br />Legal status<br />Legal status in AU<br /><br />Legal status in CA<br /><br />Legal status in NZ<br /><br />Legal status in US<br /><br />Legal status in UK<br /><br />Legal status in EU<br /><br />Legal status in UN<br /><br />Pregnancy Category<br />Pregnancy Category in US<br /><br />Pregnancy Category in AU<br /><br />Protein Bound<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Hazards|Chembox Hazards]]<span class="nowrap">}}</span><br /><br />Autoignition temperature<br />EU Class<br />EU Index<br />Explosion limits<br />URL for [[Safety Data Sheet]]<br />Flash point<br />LD50<br />LC50<br />Main hazards<br />[[NFPA 704|NFPA]]-F: Fire hazard 0–4 ([[NFPA 704#red|red]])<br />NFPA-H: Health hazard 0–4 ([[NFPA 704#blue|blue]])<br />NFPA-R: Reactivity hazard 0–4 ([[NFPA 704#yellow|yellow]])<br />NFPA-S: Special hazards (aka Other; [[NFPA 704#white|white]]): W, OX, COR, ALK, ACID, CRYO, RA<br />PEL<br />HPhrases: use the <span class="nowrap">{{</span>[[Template:H-phrases|H-phrases]]<span class="nowrap">}}</span> template for this<br />PPhrases: use the <span class="nowrap">{{</span>[[Template:P-phrases|P-phrases]]<span class="nowrap">}}</span> template for this<br /><br /><span class="nowrap">{{</span>[[Template:Chembox Related|Chembox Related]]<span class="nowrap">}}</span>: related substances<br />The function<br />Other anions<br />Other cations<br />Other compounds: adds a chemical 'see also' section<br />Other function:<br /> <br /> <br /> |
Full form
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
See also: More on images
|
Indexed parameters
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 = |
| 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.
- Eight base parameters are indexed this way, all identifiers:
CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII
- Then
|_Other=
(like|CASNoOther=
) is available for free text input.
same substance, same index
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=
Labeling the substances
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
| PubChem = 6549
| PubChem1 = 443158
| PubChem2 = 67179
}}
}}
- Tracking categories (test):
| CASNo_Comment = | CASNo1_Comment = | CASNo5_Comment =
- For specific additions, each parameter has a
|_Comment=
option.
Section subtemplates
The following section subtemplates are available:
- {{Chembox Identifiers}}
- {{Chembox Properties}}
- {{Chembox Structure}}
- {{Chembox Thermochemistry}}
- {{Chembox Explosive}}
- {{Chembox Pharmacology}}
- {{Chembox Hazards}}
- {{Chembox Related}}
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.
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 |Section1=... -->
}}
Examples
Image parameters for an image (example: File1). All are optional.
- Tracking categories (test):
{{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 = 120px | ImageFile1_Ref =ref }}
Adding two images:
- Tracking categories (test):
{{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 | 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):
- Tracking categories (test):
{{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 | 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
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:
- Tracking categories (test):
{{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 | 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.
Names
{{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) |
Example
Names | |
---|---|
IUPAC names
A, B | |
Preferred IUPAC name
PIN | |
Systematic IUPAC name
SYS | |
Other names
X Y Z |
- Tracking categories (test):
{{Chembox | Name=''cis''-3-Hexen-1-ol | IUPACNames = A, B | PIN = PIN | SystematicName = SYS | OtherNames = X<br/>Y<br/>Z }}
Input from Wikidata
E number (P628) (see uses)
ECHA Substance Infocard ID (P2566) (see uses)
E number and ECHA InfoCard ID are read from Wikidata.
Maintenance
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 | Section# = {{Chembox sectionname |" and end with "}}".
- Is there inconsistency in the Section numbering? Available numbers for sections are 1 – 9.
Tracking categories
- Category:Chemical articles with unknown parameter in Chembox (୧)
- See also: Category:Chembox tracking categories
See also
Editors can experiment in this template's sandbox (create | mirror) and testcases (create) pages.
Add categories to the /doc subpage. Subpages of this template.