সাঁচ:Chembox Jmol

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
 }}
| (nextparameter)= <!-- 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'' }} | data page pagename = <!-- Images --> | ImageFile = | ImageSize = | ImageAlt = | ImageName = | ImageCaption = | ImageFile1 = | ImageSize1 = | ImageAlt1 = | ImageName1 = | ImageCaption1 = | ImageFile2 = | ImageSize2 = | ImageAlt2 = | ImageName2 = | ImageCaption2 = | 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 = | 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 = | Addiction_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 = }} }}

pre . Reference, use <ref></ref> and add <references></references> 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 Picture caption (example: Oxygen in liquid form) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . {{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 {{Chembox Properties}}: 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 {{Chembox Structure}}: crystal structure Coordination Crystal structure Molecular shape {{Chembox Thermochemistry}} Delta Gf Delta Hc Delta Hf Entropy Heat capacity {{Chembox Explosive}} Shock sensitivity Friction sensitivity Explosive velocity Relative effectiveness factor {{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 {{ATC}} and/or {{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 AU Protein Bound {{Chembox Hazards}} Autoignition temperature Explosion limits Flash point LD50 LC50 Main hazards NFPA-H: Health hazard 0– 4 (blue) NFPA-F: Fire hazard 0– 4 (red) NFPA-I: Instability (reactivity) hazard 0– 4 (yellow) (NFPA-R also allowed) NFPA-S: Special hazards (aka Other; white): W, OX, COR, ALK, ACID, CRYO, RA PEL URL for Safety data sheet HPhrases: use the {{H-phrases}} template for this PPhrases: use the {{P-phrases}} template for this {{Chembox Related}}: related substances Other anions Other cations Other compounds with a given function The given function Other compounds: adds a chemical 'see also' section

Full form

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

Indexed parameters

| 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, 3DMet, EC_number, RTECS

• 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
| CASNo_Ref = {{cascite|correct|CAS}}
| PubChem = 6549
| PubChem1 = 443158
| PubChem2 = 67179
 }}
}}

সাঁচ:Chembox CompTox

Linalool

চিনাক্তকাৰীসমূহ
Compounds (+/-)-linalool (R): (-)-linalool (S): (+)-linalool
CAS নাম্বাৰ	78-70-6 Y (R): 126-91-0 (S): 126-90-9
3DMet	{{{3DMet}}}
EC Number
PubChem CID	6549 (R): 443158 (S): 67179
RTECS number	{{{value}}}
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

• Tracking categories (test):

• For specific additions, each parameter has a |_Comment= option.

| CASNo_Comment = 
| CASNo1_Comment = 
| CASNo5_Comment = 

• Use of the |CASNo_Ref={{cascite|correct|CAS}} parameter with argument places a small, green check mark,  ^Y, 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.

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:

• {{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. 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.

Container only

{{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 (0).

Automatic generation

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.