Pang-bô͘:Chembox/doc/full parameter list

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 = <!-- footer settings --> | 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, Key: index 1–5--> | InChI = | InChI_Comment = | InChIKey = | InChI1 = | InChI1_Comment = | InChIKey1 = | InChIOther = <!--UNII, +ix 1–5--> | UNII = | UNII_Comment = | UNII1 = | UNII1_Comment = | UNIIOther = <!--non-indexed params--> | 3DMet = | Abbreviations = | Beilstein = | EC_number = | EC_number_Comment = | Gmelin = | MeSHName = | RTECS = | UNNumber = }}

{{Chembox Identifiers}} ------ CAS registry number, links to http://www.commonchemistry.org/  CAS registry number comment Other CAS RN (unformatted) ------ ChEBI, links to http://www.ebi.ac.uk/chebi/ ------ CHeMBL ------ ChemSpider ID, links to http://www.chemspider.com/  ChemSpider ID comment ChemSpider ID verified? If yes, type: {{chemspidercite}} Other ChemSpider ID ------ DrugBank  comment Other DrugBank ------ IUPHAR/BPS  comment Other IUPHAR ------ KEGG entry, links to http://www.genome.jp/kegg/ ------ PubChem compound ID, links to https://pubchem.ncbi.nlm.nih.gov/ PubChem compound ID comment Other PubChem compound ID ------ SMILES  SMILES comment Other SMILES ------ StdInChI  StdInChI comment StdInChI Key  StdInChI Key comment ------ InChI  InChI comment Other InChI InChI Key  InChI Key comment Other InChI Key ------ UNII: Unique Ingredient Identifier, by FDA  UNII comment Other UNII ------ 3DMET entry, links to http://www.3dmet.dna.affrc.go.jp/ Abbreviations Beilstein reference EC_number (aka EINECS) E number (food additive code) Gmelin ID UN number MeSH heading, links to https://www.nlm.nih.gov/mesh/ RTECS number

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 = | 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 = }}

{{Chembox Properties}} - incomplete list Reference Chemical formula reference comment per element (alternative input) molecule charge MolarMass MolarMassRound MolarMass_ref MolarMass_notes Appearance Odor, Odour Density MeltingPt, any text Number, in Celsius. Is converted to F and K Also possible: MeltingPtF=, or MeltingPtK=       BoilingPt, any text Number, in Celsius. Is converted to F and K Also possible: BoilingPtF=, or BoilingPtK=       SublimationConditions Solubility in water (Aqueous solution) SolubilityProduct SolubilityProductAs SolubleOther Solvent Solubility1 [[{{{Solvent1}}}]] Solubility2 [[{{{Solvent2}}}]] Solubility3 [[{{{Solvent3}}}]] Solubility4 [[{{{Solvent4}}}]] Solubility5 [[{{{Solvent5}}}]]  CMC  HLB LogP VaporPressure HenryConstant AtmosphericOHRateConstant pKa pKb IsoelectricPt LambdaMax Absorbance BandGap ElectronMobility SpecRotation MagSus ThermalConductivity RefractIndex Viscosity CriticalRelativeHumidity Dipole OrbitalHybridisation SpecificSurfaceArea PoreVolume AveragePoreSize

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 = }}

{{Chembox Structure}} Reference in header Crystal structure Space group (free text) Molecular symmetry "Point group" Lattice constant (a, b, c) α, β, γ angles (don't add the ° sign) Reference for the lattice values Comment for lattice (any text) Lattice volume Number of formulas Coordination geometry Molecular geometry Orbital hybridisation Dipole moment

Chembox Thermochemistry

Complete list

This parameter list:

| Section4 = {{Chembox Thermochemistry | Thermochemistry_ref = | HeatCapacity = | Entropy = | DeltaHf = | DeltaGf = | DeltaHc = | HHV = | LHV = }}

{{Chembox Thermochemistry}} Header reference Specific heat capacity Standard molar entropy Standard enthalpy change of formation Gibbs free energy Standard enthalpy change of combustion

Note: Add units like

 &nbsp;kJ·mol<sup>−1</sup>
 &nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>

Chembox Explosive

This parameter list:

| Section5 = {{Chembox Explosive | Explosive_ref = | ShockSens = | FrictionSens = | DetonationV = | REFactor = }}

{{Chembox Explosive}} Header reference Shock sensitivity Friction sensitivity Detonation velocity Relative effectiveness factor

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 = }}

{{Chembox Pharmacology}} Ordered as shown by template   Pharmacokinetics

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 = }}

{{Chembox Hazards}} - complete list link to (data page)#Safety data sheet link to an external Material safety data sheet (MSDS) Danger pictograms according to GHS GHS Signal Word - See Category:GHS templates GHS Hazard statements GHS Precautionnary statements Risk phrases (EU system) Safety phrases (EU system) Flammability by NFPA 704, red. See {{NFPA 704 diamond}} documentation Health, blue. Health hazard code (0–4 or -) Reactivity, yellow. Reactivity hazard code (0–4 or -) Special hazards, white. Other hazard codes (like W, OX, RA, -. See list) Reference for the NFPA fire diamond Flash point, any text  Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)     Autoignition point, any text  Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)     PEL Threshold Limit Value Threshold Limit Value: Time Weighted Average Threshold Limit Value: Short Time Exposure Limit Lethal dose for half a population either by oral, dermal or intravenous

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 = }}

{{Chembox Related}} - complete list   Ions Ions Label text: "Related {{{OtherFunction_label}}}" Other compounds

Notes

Recently added

Template:Chembox/doc/recently added/parameter list

This parameter list:

• Chembox: -

Images:

Pang-bô͘:Mxt, single caption below all images

Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt: caption below pair of images

Names: Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Identifiers:

Indexes:

Pang-bô͘:Mxt, Pang-bô͘:Mxt ... Pang-bô͘:Mxt

Pang-bô͘:Mxt, Pang-bô͘:Mxt ... Pang-bô͘:Mxt

Pang-bô͘:Mxt (default: 'Compounds')

Pang-bô͘:Mxt, Pang-bô͘:Mxt x5 Pang-bô͘:Mxt x5, Pang-bô͘:Mxt

Pang-bô͘:Mxt, Pang-bô͘:Mxt

Pang-bô͘:Mxt, Pang-bô͘:Mxt (E number)

Pang-bô͘:Mxt, Pang-bô͘:Mxt, ..., Pang-bô͘:Mxt (overwrites |SMILES=)

• Hazards: Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Properties: Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, up to the 118 elements

Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Pharmacology: Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Structure: Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Thermochemistry: Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Explosive: Pang-bô͘:Mxt, Pang-bô͘:Mxt

• Related: Pang-bô͘:Mxt,

• 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|}}} }}

CASNo ChEBI ChEMBL ChemSpiderID DrugBank IUPHAR_ligand Jmol KEGG PubChem UNII InChI, InChIKey SMILES

Supplement

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

More on Images

/doc/images

This parameter list:

Chembox images ordering
row 1	ImageFile
row 2	ImageFile1
row 3	ImageFileL1	ImageFileR1
row 4	ImageFile2
row 5	ImageFileL2	ImageFileR2
row 6	ImageFile3
row 7	ImageFileL3	ImageFileR3

{{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 --> | ...(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 = }}

{{Chembox Properties}} - all temperature parameters Any text for melting point value Temperature, number only. Can be a range: '100 to 200'  number, when in degrees Fahrenheit  number, when in kelvins References (always shows, right after calculations or 'any text') Notes (always shows last; can include references) Any text for boiling point value Temperature, number only. Can be a range: '100 to 200'  number, when in degrees Fahrenheit  number, when in kelvins References (always shows, right after calculations or 'any text') Notes (always shows last; can include references)

| Section = {{Chembox Hazards | FlashPt = | FlashPtC = | FlashPtF = | FlashPtK = | FlashPt_ref = | FlashPt_notes = | AutoignitionPt = | AutoignitionPtC = | AutoignitionPtF = | AutoignitionPtK = | AutoignitionPt_ref = | AutoignitionPt_notes = }}

{{Chembox Hazards}} - all temperature parameters Any text for Flash point value. Temperature, number only. Can be a range: '100 to 200'  number, when in degrees Fahrenheit  number, when in kelvins References (always shows, right after calculations or 'any text') Notes (always shows last; can include references) Any text for autoignition temperature value Temperature, number only. Can be a range: '100 to 200'  number, when in degrees Fahrenheit  number, when in kelvins References (always shows, right after calculations or 'any text') Notes (always shows last; can include references)

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: Pang-bô͘:!mxt, Pang-bô͘:!mxt (not used)

• Identifiers: Pang-bô͘:!mxt → Pang-bô͘:Mxt
• Identifiers: Pang-bô͘:!mxt deprecated, can be used, same as Pang-bô͘:Mxt
• Identifiers: Pang-bô͘:!mxt → Pang-bô͘:Mxt

All eight similar: Pang-bô͘:!mxt, Pang-bô͘:!mxt, Pang-bô͘:!mxt, Pang-bô͘:!mxt, Pang-bô͘:!mxt, Pang-bô͘:!mxt, Pang-bô͘:!mxt, Pang-bô͘:!mxt

• Pang-bô͘:!mxt not used
• Pang-bô͘:!mxt removed

• Explosive: Pang-bô͘:!mxt → Pang-bô͘:Mxt

• Pharma: Pang-bô͘:!mxt → split over Pang-bô͘:Mxt Pang-bô͘:Mxt (3 + 4 characters)
• Pharma: Pang-bô͘:!mxt → Pang-bô͘:Mxt
• Pharma: Pang-bô͘:!mxt, Pang-bô͘:!mxt → Pang-bô͘:Mxt, Pang-bô͘:Mxt
• Pharma: Pang-bô͘:!mxt → Pang-bô͘:Mxt uppercase L

• Hazards: Pang-bô͘:!mxt → Pang-bô͘:Mxt
• Hazards: Pang-bô͘:!mxt → Pang-bô͘:Mxt
• Hazards: Pang-bô͘:!mxt removed from template
• Hazards: Pang-bô͘:!mxt → Pang-bô͘:Mxt (NFPA-704 Special, not Other)

• Properties: Pang-bô͘:!mxt → Pang-bô͘:Mxt (into regular name pattern)
• Properties: Pang-bô͘:!mxt not available in templatediscussed 2012

• Related function: OtherFunctn use OtherFunction
• Related function: Function use OtherFunction_label
• Related function: OtherCpds use OtherCompounds

• Parameters deprecated earlier: Pang-bô͘:!mxt

• Chembox templates Pang-bô͘:MiddotTracking categories