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==Usage== 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 {{para|ImageFile|}} and {{para|IUPACName|}}), each section is added with this pattern (as the value of a parameter {{Para|Section''x''}}. <syntaxhighlight lang="wikitext"> {{Chembox | ImageFile = | IUPACName = <!-- more general Chembox parameters here --> | Section1 = {{Chembox Identifiers | CASNo = | PubChem = <!-- more Identifier parameters here --> }} }}</syntaxhighlight> 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 {{para|Section''#''|}}. Then a section is defined with <code>"|Section# = {{Chembox "</code> and ends with <code>"}}"</code>. Sections cannot 'nest': one must close one section with <code>}}</code> before adding another {{para|Section#| <nowiki>{{Chembox ...</nowiki>}}. Keep in mind the advice in the main Infobox documentation to use the {{tl|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 {{para|OtherNames}}, since many names use commas within them, and using commas as separators leads to ambiguity. For example: <syntaxhighlight lang="wikitext" style="overflow: auto"> | 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. --> </syntaxhighlight> ====Small, simple form==== To use, simply copy and paste the left column into the document, filling in whatever you can, and save: {| |- style="vertical-align:top;" | <syntaxhighlight lang="wikitext" style="overflow: auto"> {{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 = }} }} </syntaxhighlight> |} ====Medium form==== To use, simply copy and paste the left column into the document, filling in whatever you can: {| |- style="vertical-align:top" | <syntaxhighlight lang="wikitext"> {{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 = }} }} </syntaxhighlight> | {{Pre|1= . Reference, use {{tag|ref}} and add {{tag|references|e}} 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: "<nowiki>[[Ammonia (data page)]]</nowiki>") 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) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . {{tl|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 . <br/>{{tl|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 {{tl|Chembox Structure}}: crystal structure Coordination Crystal structure Molecular shape {{tl|Chembox Thermochemistry}} Delta Gf Delta Hc Delta Hf Entropy Heat capacity {{tl|Chembox Explosive}} [[Shock sensitivity]] [[Friction sensitivity]] [[Explosive velocity]] [[Relative effectiveness factor]] {{tl|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 {{tl|ATC}} and/or {{tl|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 . {{tl|Chembox Hazards}} 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 {{tl|H-phrases}} template for this PPhrases: use the {{tl|P-phrases}} template for this {{tl|Chembox Related}}: related substances Other anions Other cations Other compounds with a given function The given function<br/>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: {{collapse top|title=Long parameter list for {{tl|Chembox}}|bg=lightgrey}} {{hatnote|Sections parameter lists may be incomplete}} {| |- style="vertical-align:top;" | <syntaxhighlight lang="wikitext" style = "overflow: auto"> {{Chembox | Reference = <!-- Names --> | Name = | IUPACName = | SystematicName = | OtherNames = | data page pagename = <!-- Images --> | ImageFile = | ImageAlt = | ImageCaption = | ImageFile1 = | ImageAlt1 = | ImageCaption1 = | ImageClass1 = | ImageFile2 = | ImageAlt2 = | ImageCaption2 = | ImageClass2 = | ImageFile3 = | ImageAlt3 = | ImageCaption3 = | ImageClass3 = | ImageFileL1 = | ImageAltL1 = | ImageCaptionL1 = | ImageClassL1 = | ImageFileR1 = | ImageSizeR1 = | ImageAltR1 = | ImageCaptionR1 = | ImageClassR1 = | ImageFileL2 = | ImageAltL2 = | ImageCaptionL2 = | ImageClassL2 = | ImageFileR2 = | ImageSizeR2 = | ImageAltR2 = | ImageCaptionR2 = | ImageClassR2 = <!-- Style settings --> | width = <!-- Sections --> | Section1 = {{Chembox Identifiers | Abbreviations = | CASNo = | CASNo_Comment = | CASNo_Ref = | CASNoOther = | PubChem = | PubChem_Comment = | PubChem5 = | PubChem5_Comment = | PubChemOther = | ChemSpiderID = | ChemSpiderID_Comment = | ChemSpiderID5 = | ChemSpiderIDOther = | EINECS = | EC_number = | EC_number_Comment = | UNNumber = | DrugBank = | KEGG = | MeSHName = | ChEBI = | RTECS = | SMILES = | InChI = | Beilstein = | Gmelin = | 3DMet = }} | Section2 = {{Chembox Properties | Formula = | MolarMass = | Appearance = | Density = | MeltingPt = | MeltingPt_notes = | BoilingPt = | BoilingPt_notes = | LogP = | VaporPressure = | HenryConstant = | AtmosphericOHRateConstant = | pKa = | pKb = | Solubility = | SolubleOther = | Solvent = }} | 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_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 = }} | Section6 = {{Chembox Explosive | ShockSens = | FrictionSens = | ExplosiveV = | REFactor = }} | Section7 = {{Chembox Hazards | MainHazards = | NFPA-H = | NFPA-F = | NFPA-I = | NFPA-S = | ExternalSDS = | GHSPictograms = | GHSSignalWord = | HPhrases = | PPhrases = | FlashPt = | Autoignition = | ExploLimits = | LD50 = | PEL = }} | Section8 = {{Chembox Related | OtherAnions = | OtherCations = | OtherFunction_label = | OtherFunction = | OtherCompounds = }} }} </syntaxhighlight> | <div style = "overflow: auto"> Chembox: Template name *Name: title above the box (DEFAULT: article name) *filename.svg ('''not''' <nowiki>[[image:filename.svg]]</nowiki> *picture size (example: ImageSize = 100px, default = 200px) *alt text for picture (example: Fine dry white powder) *Picture caption (example: Oxygen in liquid form) *Picture class (<code>[[WP:NOTPAGEIMAGE|notpageimage]]</code> and/or <code>[[WP:SKININVERT|skin-invert]]</code>) *the IUPAC name *hide IUPAC name if very long; show-button is displayed *the systematic name *any other name *reference; include <nowiki><ref> </ref></nowiki>s, add <nowiki><references/></nowiki> to the page – also used to indicate whether or not [[WP:CHEMVAL|identifiers have been confirmed]] '''Section Identifiers:''' Standard numbers, etc. *any abbreviations *CAS Number: links to eMolecules **http://www.commonchemistry.org/ *PubChem: links to https://pubchem.ncbi.nlm.nih.gov; **up to 5 numbers *PubChem_Comment: comment at the number *PubChemOther: for other information *ChemSpider: links to http://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 {{tl|ATC}} and/or {{tl|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 '''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 [[Safety Data Sheet]] *EU Index *Main Hazards *NFPA-H: [[NFPA 704#blue|NFPA 704]] Health hazard 0&ndahs;4 (blue) *NFPA-F: [[NFPA 704#red|NFPA 704]] Fire hazard 0&ndahs;4 (red) *NFPA-I: [[NFPA 704#yellow|NFPA 704]] Instability (reactivity) hazard 0&ndahs;4 (yellow) *NFPA-S: [[NFPA 704#white|NFPA 704]] Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white) *HPhrases: use the {{tl|H-phrases}} template for this *PPhrases: use the {{tl|P-phrases}} template for this *Flash Point *Autoignition *Explosion Limits *LD50 *PEL '''Section Supplement:''' Separate data page *data page pagename '''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 </div> |} {{collapse bottom}} ====Indexed parameters==== <div style="float:right;"> <syntaxhighlight lang="wikitext"> | CASNo = | CASNo1 = | CASNo2 = | CASNo3 = | CASNo4 = | CASNo5 = | CASNoOther = </syntaxhighlight> {{collapse top| title=Indexed parameters| bg=#ddd}} Overview<br/>(index numbers 2-3-4 omitted): <syntaxhighlight lang="wikitext"> | 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= </syntaxhighlight> {{collapse bottom}} </div> 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: :<code>CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII, 3DMet, EC_number, RTECS</code> *Then {{para|_Other}} (like {{para|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 {{para|CASNo3}} and {{para|SMILES3}} are about the same substance, and {{para|CASNo3}} and {{para|SMILES2}} are ''not''. Treat index "0" the same way: :{{para|CASNo}} is {{para|InChI}} is {{para|SMILES}} :{{para|CASNo1}} is {{para|InChI1}} is {{para|SMILES1}} :{{para|CASNo}} is ''not'' {{para|InChI1}} is ''not'' {{para|SMILES4}} {{clear}} =====Labeling the substances===== By using a parameter like {{para|index2_label}}, you can prefix every #2-input with that same prefix. <div style="float:left;"> <syntaxhighlight lang="wikitext"> {{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 }} }} </syntaxhighlight></div> {{chembox | Name = [[Linalool]] | show_footer = no |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 | testQID = Q410932 }} }} {{clear}} * For specific additions, each parameter has a {{para|_Comment}} option. <div style="float:left;"> <syntaxhighlight lang="wikitext"> | CASNo_Comment = | CASNo1_Comment = | CASNo5_Comment = </syntaxhighlight></div> {{clear}} * Use of the {{para|CASNo_Ref|<nowiki>{{cascite|correct|CAS}}</nowiki>}} parameter with argument places a small, green check mark, {{cascite|correct|CAS}} , after the CAS No., which indicates that an editor has confirmed that the CAS No. is correct. A red ''{{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: *{{tl|Chembox Identifiers}} *{{tl|Chembox Properties}} *{{tl|Chembox Structure}} *{{tl|Chembox Thermochemistry}} *{{tl|Chembox Explosive}} *{{tl|Chembox Pharmacology}} *{{tl|Chembox Hazards}} *{{tl|Chembox Related}} And the automated section, that is visible when 'pagename (data page)' exists: *{{tl|Chembox Supplement}} See these subsections for their parameter options. The ''order'' of these sections in the infobox is set by the ''section number'' ({{para|Section#}}) only. Not by the typed sequence. This documentation keeps this arbitrary order: <syntaxhighlight lang="wikitext"> | Section1 = {{Chembox Identifiers}} | Section2 = {{Chembox Properties}} | Section3 = {{Chembox Structure}} | Section4 = {{Chembox Thermochemistry}} | Section5 = {{Chembox Explosive}} | Section6 = {{Chembox Pharmacology}} | Section7 = {{Chembox Hazards}} | Section9 = {{Chembox Related}} </syntaxhighlight> Sections that are not used can be safely removed, renumbering is not necessary. ====Container only==== {{tlf|Chembox}} can be used to show a subsection only, for example {{code|1=<nowiki>Section3={{Chembox Hazards|...}}</nowiki>}}. When set {{para|container_only|yes}}: The main {{tlf|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 {{clc|Category:Chembox container only}}. ====Automatic generation==== The [https://alyw234237.github.io/wiki-drugbox-chembox-maker/ 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 [https://citation-template-filling.toolforge.org/cgi-bin/index.cgi Wikipedia template filling tool] by [[User:Diberri|Diberri]] and [[User:Boghog|Boghog]] is another option for automatic chembox generation but fills fewer fields.
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