Template:Chembox/doc/full parameter list

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This page lists the parameters available in {{Chembox}}. (Not all: after index #1, index numbers 2, 3, 4, 5 are omitted. So |CASNo=, |CASNo1= are listed here; existing |CASNo2= ... |CASNo5= are not).

Chembox

This parameter list:
{{Chembox
| Reference =
<!-- Names -->
| Name =
| pronounce =
| IUPACName =
| IUPACNames = <!-- -s for plural -->
| PIN =
| SystematicName =
| OtherNames =
<!-- Image parameters: see below -->
<!-- Sections --> 
| Section1 = 
| Section2 = 
| Section3 = 
| Section4 = 
| Section5 = 
| Section6 = 
| Section7 = 
| Section8 = 
| Section9 = 
<!-- Style settings  -->
| style =
| width =
<!-- Bot parameter. Do not add, change or remove -->
| Verifiedfields = 
| Watchedfields = 
| verifiedrevid =
<!-- IMAGE row 1/7 -->
| ImageFile = 
| ImageSize = 
| ImageAlt  = 
| ImageCaption = 
| ImageName = 
<!-- IMAGE row 2/7 -->
| ImageFile1 = 
| ImageSize1 = 
| ImageAlt1  = 
| ImageCaption1 = 
| ImageName1 = 
<!-- IMAGE (L1, R1) row 3/7 -->
| ImageFileL1 = 
| ImageSizeL1 = 
| ImageAltL1  = 
| ImageCaptionL1 = 
| ImageNameL1 = 
| ImageFileR1 = 
| ImageSizeR1 = 
| ImageAltR1  = 
| ImageCaptionR1 = 
| ImageNameR1 = 
| ImageCaptionLR1 = 
<!-- IMAGE row 4/7 -->
| ImageFile2 = 
| ImageSize2 = 
| ImageAlt2  = 
| ImageCaption2 = 
| ImageName2 = 
<!-- IMAGE (L2, R2) row 5/7 -->
| ImageFileL2 = 
| ImageSizeL2 = 
| ImageAltL2  = 
| ImageCaptionL2 = 
| ImageNameL2 = 
| ImageFileR2 = 
| ImageSizeR2 = 
| ImageAltR2  = 
| ImageCaptionR2 = 
| ImageNameR2 = 
| ImageCaptionLR2= 
<!-- IMAGE row 6/7 -->
| ImageFile3 = 
| ImageSize3 = 
| ImageAlt3  = 
| ImageCaption3 = 
| ImageName3 = 
<!-- IMAGE (L3, 3R) row 7/7 -->
| ImageFileL3 = 
| ImageSizeL3 = 
| ImageAltL3  = 
| ImageCaptionL3 = 
| ImageNameL3 = 
| ImageFileR3 = 
| ImageSizeR3 = 
| ImageAltR3  = 
| ImageCaptionR3 = 
| ImageNameR3 = 
| ImageCaptionLR3= 
<!-- -->
| ImageCaptionAll =
<!-- non-default (data page) pagename (link in Supplement) -->
| data page pagename =
<!-- footer settings -->
| container_only =
| show_footer =

| show_ss_note =
| show_infobox_ref =
| general_note =
}}
 

Chembox Identifiers

This parameter list:
|Section1={{Chembox Identifiers
| Identifiers_ref =
<!-- indexlabeling-->
| index_label = 
| index1_label = 
| indexlist_caption = 
| index_comment = 
| index1_comment = 
<!--CASNo, +ix 1–5-->
| CASNo = 
| CASNo_Comment = 
| CASNo1 = 
| CASNo1_Comment = 
| CASNoOther = 
<!--ChEBI, +ix 1–5-->
| ChEBI = 
| ChEBI_Comment = 
| ChEBI1 = 
| ChEBI1_Comment =
| ChEBIOther = 
<!--ChEMBL, +ix 1–5-->
| ChEMBL = 
| ChEMBL_Comment = 
| ChEMBL1 = 
| ChEMBL1_Comment =
| ChEMBLOther = 
<!--ChemSpiderID, +ix 1–5-->
| ChemSpiderID = 
| ChemSpiderID_Comment = 
| ChemSpiderID1 = 
| ChemSpiderID1_Comment = 
| ChemSpiderIDOther = 
<!--DrugBank, +ix 1–5-->
| DrugBank = 
| DrugBank_Comment = 
| DrugBank1 = 
| DrugBank1_Comment = 
| DrugBankOther = 
<!--IUPHAR_ligand, +ix 1–5-->
| IUPHAR_ligand = 
| IUPHAR_ligand_Comment = 
| IUPHAR_ligand1 = 
| IUPHAR_ligand1_Comment =
| IUPHAR_ligand_Other = 
<!--KEGG, +ix 1–5-->
| KEGG =
| KEGG_Comment = 
| KEGG1 = 
| KEGG1_Comment =
| KEGGOther = 
<!--PubChem, +ix 1–5-->
| PubChem = 
| PubChem_Comment = 
| PubChem1 = 
| PubChem1_Comment = 
| PubChemOther = 
<!--SMILES, Jmol 1–5-->
| SMILES = 
| SMILES_Comment = 
| SMILES1 = 
| SMILES1_Comment =
| SMILESOther =
| Jmol =
| Jmol1 = 
<!--StdInChI-->
| StdInChI = 
| StdInChI_Comment = 
| StdInChIKey = 
<!--InChI, InChIKey: index 1–5-->
| InChI = 
| InChI_Comment = 
| InChIKey = 
| InChI1 = 
| InChI1_Comment = 
| InChIKey1 =
| InChIOther = 
<!--UNII, +ix 1–5-->
| UNII = 
| UNII_Comment = 
| UNII1 = 
| UNII1_Comment = 
| UNIIOther =
<!-- DTXSID (CompTox), +ix 1–5-->
| DTXSID  =
| DTXSID1 ... DTXSID5 =
| DTXSIDOther =
<!--3DMet, +ix 1–5-->
| 3DMet = 
<!--EC_number, +ix 1–5-->
| EC_number = 
| EC_number1 ... EC_number5 = 
| EC_number_Comment = 
| EINECS =
<!--RTECS, +ix 1–5-->
| RTECS =
| RTECS1 ... RTECS5 =
| RTECSOther =
<!--non-index parameters-->
| Abbreviations = 
| Beilstein = 
| Gmelin = 
| MeSHName =
| UNNumber =
}}

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Chembox Properties

This parameter list:
| Section2={{Chembox Properties
| Properties_ref = 
| Formula = 
| Formula_ref = 
| Formula_Comment = 
| C= | H= | N= <!--(etc)-->
| Formula_Charge =
| MolarMass =
| MolarMassRound =
| MolarMass_ref = 
| MolarMass_notes = 
| Appearance = 
| Odor = | Odour = 
| Density = 
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
| CriticalTP =
| SublimationConditions = 
| Solubility = 
| SolubilityProduct = 
| SolubilityProductAs = 
| SolubleOther = 
| Solvent = 
| Solubility1 = 
| Solvent1 = 
| Solubility2 = 
| Solvent2 = 
| Solubility3 = 
| Solvent3 = 
| Solubility4 = 
| Solvent4 = 
| Solubility5 = 
| Solvent5 =
| CMC =
| HLB =
| LogP = 
| VaporPressure = 
| HenryConstant = 
| AtmosphericOHRateConstant = 
| pKa = 
| pKb = 
| ConjugateAcid =
| ConjugateBase =
| IsoelectricPt = 
| LambdaMax = 
| Absorbance = 
| BandGap = 
| ElectronMobility = 
| SpecRotation = 
| MagSus = 
| ThermalConductivity = 
| RefractIndex = 
| Viscosity = 
| CriticalRelativeHumidity = 
| Dipole = 
| OrbitalHybridisation = 
| SpecificSurfaceArea = 
| PoreVolume = 
| AveragePoreSize = 
  }}

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Chembox Structure

Complete list
This parameter list:
| Section3 = {{Chembox Structure
| Structure_ref =
| CrystalStruct = 
| SpaceGroup = 
| PointGroup = 
| LattConst_a = 
| LattConst_b = 
| LattConst_c = 
| LattConst_alpha = 
| LattConst_beta = 
| LattConst_gamma = 
| LattConst_ref =
| LattConst_Comment = 
| UnitCellVolume = 
| UnitCellFormulas = 
| Coordination = 
| MolShape = 
| OrbitalHybridisation = 
| Dipole = 
  }}

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Chembox Thermochemistry

Complete list
This parameter list:
| Section4 = {{Chembox Thermochemistry
| Thermochemistry_ref =
| HeatCapacity = 
| Entropy = 
| DeltaHform = 
| DeltaGfree = 
| DeltaHcombust =
| DeltaHfus =
| DeltaHvap =
| DeltaHsublim =
| HHV =
| LHV =
 }}

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Note: Add units like

 &nbsp;kJ·mol<sup>−1</sup>
 &nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>
Deprecated parameters
  • DeltaHf → use DeltaHform
  • DeltaGf → use DeltaGfree
  • DeltaHc → use DeltaHcombust

Chembox Explosive

This parameter list:
| Section5 = {{Chembox Explosive
| Explosive_ref =
| ShockSens = 
| FrictionSens = 
| DetonationV = 
| REFactor = 
  }}

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Complete list


Chembox Pharmacology

This parameter list:
| Section6 = {{Chembox Pharmacology
| Pharmacology_ref =
| ATCCode_prefix = 
| ATCCode_suffix = 
| ATC_Supplemental = 
| ATCvet =
| Licence_EU = 
| INN =
| INN_EMA = 
| Licence_US = 
| Legal_status = 
| Legal_AU = 
| Legal_AU_comment = 
| Legal_CA = 
| Legal_CA_comment = 
| Legal_NZ = 
| Legal_NZ_comment = 
| Legal_UK = 
| Legal_UK_comment = 
| Legal_US = 
| Legal_US_comment = 
| Legal_EU = 
| Legal_EU_comment = 
| Legal_UN = 
| Legal_UN_comment = 
| Pregnancy_category = 
| Pregnancy_AU = 
| Pregnancy_AU_comment = 
| Pregnancy_US =
| Pregnancy_US_comment = 
| Dependence_liability = 
| Addiction_liability = 
| AdminRoutes = 
| Bioavail = 
| ProteinBound = 
| Metabolism = 
| Metabolites = 
| OnsetOfAction = 
| HalfLife = 
| DurationOfAction = 
| Excretion = 
  }}

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Complete list


Chembox Hazards

This parameter list:


| Section7 = {{Chembox Hazards
| Hazards_ref =
<!-- (data page) -->
| ExternalSDS = 
| GHSPictograms = 
| GHSSignalWord = 
| HPhrases = 
| PPhrases = 
| MainHazards = 
| IngestionHazard = 
| InhalationHazard = 
| EyeHazard = 
| SkinHazard = 
| NFPA-F = 
| NFPA-H = 
| NFPA-R = 
| NFPA-S = 
| NFPA_ref = 
| FlashPt =
| FlashPtC =
| FlashPt_notes =
| FlashPt_ref =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPt_ref=
| AutoignitionPt_notes=
| ExploLimits = 
| TLV = 
| TLV-TWA = 
| TLV-STEL = 
| TLV-C = 
| LD50 = 
| LDLo = 
| LC50 = 
| LCLo = 
| PEL =
| REL = 
| IDLH =
| NIOSH_id =
| NIOSH_ref =
 }}
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Chembox Related

This parameter list:

All Related input creates a 'see also' list. It is good practice to use article links.

| Section8 = {{Chembox Related
| Related_ref =
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
  }}

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Notes

Recently added

Template:Chembox/doc/recently added/parameter list

This parameter list:
  • Chembox: -
Images:
ImageCaptionAll, single caption below all images
ImageCaptionLR1, ImageCaptionLR2, ImageCaptionLR3: caption below pair of images
Names: Names_ref, pronounce
  • Identifiers:
Indexes:
index_label, index1_label ... index5_label
index_comment, index1_comment ... index5_comment
indexlist_caption (default: 'Compounds')
DTXSID, DTXSID1 ... DTXSID5, DTXSIDOther (indexed), (links to CompTox Chemistry Dashboard, U.S. EPA)
3DMet1, 3DMet2, 3DMet3, 3DMet4, 3DMet5, 3DMetOther (indexed)
EC_number1, EC_number2, EC_number3, EC_number4, EC_number5, EC_numberOther (indexed)
RTECS1, RTECS2, RTECS3, RTECS4, RTECS5, RTECSOther (indexed)
Identifiers_ref, IUPHAR_ligand1 x5 IUPHAR_ligand1_Comment x5, IUPHAR_ligand_Other
EC_number, EC_number_Comment
E_number, E_number_Comment (E number)
Jmol, Jmol1, ..., Jmol5 (overwrites |SMILES=; none = do not show)


  • Properties: Properties_ref, Formula_ref, Formula_Comment, MolarMass_ref, MolarMassUnit, MolarMass_Comment, up to the 118 elements
ConjugateAcid, ConjugateBase
CriticalTP
  • Hazards: Hazards_ref, Hazards_data_page, NFPA_ref, NFPA_Ref, LDLo, LCLo
  • Pharmacology: Pharmacology_ref, PLLR, Metabolites, DurationOfAction, OnsetOfAction
  • Structure: Structure_ref, LattConst_ref, LattConst_Comment, UnitCellVolume, UnitCellFormulas
  • Thermochemistry: HHV, LHV
  • Explosive: Explosive_ref, DetonationV
  • Related: Related_ref,
  • Temperatures


Indexed parameters

This parameter list:
CASNo
{{{CASNo1|}}}{{{CASNo2|}}}{{{CASNo3|}}}{{{CASNo4|}}}{{{CASNo5|}}}
ChEBI
{{{ChEBI1|}}}{{{ChEBI2|}}}{{{ChEBI3|}}}{{{ChEBI4|}}}{{{ChEBI5|}}}
ChEMBL
{{{ChEMBL1|}}}{{{ChEMBL2|}}}{{{ChEMBL3|}}}{{{ChEMBL4|}}}{{{ChEMBL5|}}}
ChemSpiderID
{{{ChemSpiderID1|}}}{{{ChemSpiderID2|}}}{{{ChemSpiderID3|}}} 
{{{ChemSpiderID4|}}} {{{ChemSpiderID5|}}}
DrugBank
{{{DrugBank1|}}}{{{DrugBank2|}}}{{{DrugBank3|}}}{{{DrugBank4|}}}{{{DrugBank5|}}}
IUPHAR_ligand
{{{IUPHAR_ligand1|}}}{{{IUPHAR_ligand2|}}}{{{IUPHAR_ligand3|}}}{{{IUPHAR_ligand4|}}}{{{IUPHAR_ligand5|}}}
Jmol
{{{Jmol1|}}}{{{Jmol2|}}}{{{Jmol3|}}}{{{Jmol4|}}}{{{Jmol5|}}}
KEGG
{{{KEGG1|}}}{{{KEGG2|}}}{{{KEGG3|}}}{{{KEGG4|}}}{{{KEGG5|}}}
PubChem
{{{PubChem1|}}}{{{PubChem2|}}}{{{PubChem3|}}}{{{PubChem4|}}}{{{PubChem5|}}}
UNII
{{{UNII1|}}}{{{UNII2|}}}{{{UNII3|}}}{{{UNII4|}}}{{{UNII5|}}}
InChI, InChIKey
{{{InChI1|}}}{{{InIKey1|}}}{{{InChI2|}}}{{{InChIKey2|}}}{{{InChI3|}}}{{{InChIKey3|}}}{{{InChI4|}}}{{{InChIKey4|}}}{{{InChI5|}}}{{{InChIKey5|}}}
SMILES
{{{SMILES1|}}}{{{SMILES2|}}}{{{SMILES3|}}}{{{SMILES4|}}}{{{SMILES5|}}}
DTXSID
{{{DTXSID1|}}}{{{DTXSID2|}}}{{{DTXSID3|}}}{{{DTXSID4|}}}{{{DTXSID5|}}}
3DMet
{{{DTXSID1|}}}{{{DTXSID2|}}}{{{DTXSID3|}}}{{{DTXSID4|}}}{{{DTXSID5|}}}
EC_number
{{{EC_number1|}}}{{{EC_number2|}}}{{{EC_number3|}}}{{{EC_number4|}}}{{{EC_number5|}}}
RTECS
{{{RTECS1|}}}{{{RTECS2|}}}{{{RTECS3|}}}{{{RTECS4|}}}{{{RTECS5|}}}
}}<!-- {{{1|}}}{{{2|}}}{{{3|}}}{{{4|}}}{{{5|}}} -->

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Supplement

Is added automatically when article {{PAGENAME (data page) exists.

More on Images

/doc/images

This parameter list:
Chembox image ordering ()
row 1 ImageFile
row 2 ImageFileTemplate:Purple
row 3 ImageFileTemplate:Purple ImageFileTemplate:Purple
row 5 ImageFileTemplate:Purple
row 4 ImageFileTemplate:Purple ImageFileTemplate:Purple
row 6 ImageFileTemplate:Purple
row 7 ImageFileTemplate:Purple ImageFileTemplate:Purple
{{Chembox
| Name =

<!-- Row 1/7 -->
|ImageFile    = 
|ImageSize    = 
|ImageAlt     = 
|ImageCaption =  
|ImageName    = 

<!-- Row 2/7 -->
|ImageFile1    = 
|ImageSize1    = 
|ImageAlt1     = 
|ImageCaption1 = 
|ImageName1    = 

<!-- Row 3/7 -->
|ImageFileL1    = 
|ImageSizeL1    = 
|ImageAltL1     = 
|ImageCaptionL1 = 
|ImageNameL1    = 

|ImageFileR1    = 
|ImageSizeR1    = 
|ImageAltR1     = 
|ImageCaptionR1 = 
|ImageNameR1    = 

|ImageCaptionLR1= 

<!-- etc. for Image 2, L2 R2, 3, L3 R3 -->

|ImageCaptionAll=

| <!-- ... (more Chembox parameters) -->
}}

More on Temperatures

Calculating temperatures

This parameter list:

Four or less parameters are needed to present temperature data:

|MeltingPt=Decomposes when >
|MeltingPtC=50
|MeltingPt_ref=<ref>[www.example.com]</ref>
|MeltingPt_notes=My notes<ref>[www.chemspider.com]</ref>

Decomposes when >_50 °C (122 °F; 323 K)[1]_My notes[2]

The options for conversion:
|MeltingPtC=50
|MeltingPtF=50
|MeltingPtK=50
Temperature range:
|MeltingPtC=50 to 70
|MeltingPtF=50 to 70
|MeltingPtK=50 to 70


50 °C (122 °F; 323 K)
10 °C; 50 °F; 283 K
−223.2 °C; −369.7 °F; 50.0 K

50 to 70 °C (122 to 158 °F; 323 to 343 K)
10 to 21 °C; 50 to 70 °F; 283 to 294 K
−223.2 to −203.2 °C; −369.7 to −333.7 °F; 50.0 to 70.0 K

| Section = {{Chembox Properties
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =

| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
  }}

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| Section = {{Chembox Hazards
| FlashPt =
| FlashPtC =
| FlashPtF =
| FlashPtK =
| FlashPt_ref =
| FlashPt_notes =

| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPtF =
| AutoignitionPtK =
| AutoignitionPt_ref =
| AutoignitionPt_notes =
  }}

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Deprecations

deprecations

This parameter list:

Incomplete list

ATC and Drugbank: Parameters |ATC= and |Drugbank= can appear in only one section each:

in |Section1 = {{Chembox Identifiers |Drugbank = ...}}
in |Section2 = {{Chembox Pharamacology |ATCCode = ...}}


Preferred alternative parameters
  • Names: PIN_hidden, IUPACName_hidden (not used)
  • Identifiers: EC-numberEC_number
  • Identifiers: EINECS deprecated, can be used, same as EC_number
  • Identifiers: CASNosCASNoOther
All eight similar: CASNos, ChEMBLs, ChemSpiderIDs, ChEbIs, InChIs, PubChems, SMILESs, UNIIs
  • PubChem_Ref not used
  • EINECSCASNO removed
  • Explosive: ExplosiveVDetonationV
  • Pharma: ATCCode → split over ATCCode_prefix ATCCode_suffix (3 + 4 characters)
  • Pharma: PregCatPregnancy_category
  • Pharma: PregCat_AU, PregCat_USPregnancy_category_AU, Pregnancy_category_US
  • Pharma: legal_XXLegal_XX uppercase L
  • Hazards: ExternalMSDSExternalSDS
  • Hazards: NSFA_RefNSFA_ref
  • Hazards: EUIndex removed from template
  • Hazards: NFPA-ONFPA-S (NFPA-704 Special, not Other)
  • Thermodynamics: DeltaHfDeltaHForm
  • Thermodynamics: DeltaGfDeltaGfree
  • Thermodynamics: DeltaHcDeltaHCombust
  • Properties: MassRoundMolarMassRound (into regular name pattern)
  • Properties: ExactMass not available in templatediscussed 2012
  • Related function: OtherFunctn use OtherFunction
  • Related function: Function use OtherFunction_label
  • Related function: OtherCpds use OtherCompounds
  • Parameters deprecated earlier: Section, Section10, ImageStyleN