Templat: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

Daftar parameter:   

| Section = {{Chembox Properties | Reference = | MassRound=DFLT{{{MassRound|2}}} | MolarMass_notes = | Formula = | MolarMass_notes = | Appearance = | Odor = | Odour = | Density = | MeltingPt = | Melting_ref = | Melting_notes = | MeltingPtC = | BoilingPt = | Boiling_ref = | Boiling_notes = | BoilingPtC = | SublimationConditions = | Solubility = | SolubilityProduct = | SolubilityProductAs = | SolubleOther = | Solvent = | Solubility1 = | Solvent1 = | Solubility2 = | Solvent2 = | Solubility3 = | Solvent3 = | Solubility4 = | Solvent4 = | Solubility5 = | Solvent5 = | LogP = | VaporPressure = | HenryConstant = | AtmosphericOHRateConstant = | pKa = | pKb = | IsoelectricPt = | LambdaMax = | Absorbance = | BandGap = | ElectronMobility = | SpecRotation = | MagSus = | ThermalConductivity = | RefractIndex = | Viscosity = | CriticalRelativeHumidity = | Dipole = | OrbitalHybridisation = | SpecificSurfaceArea = | PoreVolume = | AveragePoreSize = }}

{{Chembox Properties}} - complete list Reference MassRound=DFLT MassRound2 MolarMass_notes Formula MolarMass_notes Appearance Odor Odour Density MeltingPt, any text      Calculate (see: more on temperatures) BoilingPt, any text      Calculate (see: more on temperatures) SublimationConditions Solubility in water SolubilityProduct SolubilityProductAs SolubleOther Solvent Solubility1 [[{{{Solvent1}}}]] Solubility2 [[{{{Solvent2}}}]] Solubility3 [[{{{Solvent3}}}]] Solubility4 [[{{{Solvent4}}}]] Solubility5 [[{{{Solvent5}}}]] 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 = }}

{{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 = | ATCCode_prefix = | ATCCode_suffix = | ATC_Supplemental = | ATCvet = | Licence_EU = | 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: "{{{OtherFunction_label}}} terkait" Other compounds

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')

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=)

• Hazards: Hazards_ref, Hazards_data_page, NFPA_ref, NFPA_Ref, LDLo, LCLo

• Properties: Properties_ref, Formula_ref, Formula_Comment, MolarMass_ref, MolarMassUnit, MolarMass_Comment, up to the 118 elements

ConjugateAcid, ConjugateBase

• Pharmacology: Pharmacology_ref, PLLR, Metabolites, DurationOfAction, OnsetOfAction

• Structure: Structure_ref, LattConst_ref, LattConst_Comment, UnitCellVolume, UnitCellFormulas

• 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|}}} }}

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:   

Empat atau kurang dari empat parameter dibutuhkan untuk menunjukkan data suhu:

|MeltingPt=Terdekomposisi pada suhu > |MeltingPtC=50 |Melting_ref=<ref>[www.example.com]</ref> |Melting_notes=Catatan<ref>[www.chemspider.com]</ref>	Terdekomposisi pada suhu >_50 °C (122 °F; 323 K)[1]_Catatan[2]
Other options: |MeltingPtF=50 |MeltingPtK=50 |MeltingPtC=50 to 70 |MeltingPtF=50 to 70 |MeltingPtK=50 to 70

| Section = {{Chembox Properties | MeltingPt = | MeltingPtC = | Melting_ref = | Melting_notes = | MeltingPtF = | MeltingPtK = | BoilingPt = | BoilingPtC = | Boiling_ref = | Boiling_notes = | BoilingPtF = | BoilingPtK = }}

{{Chembox Properties}} - all temperature parameters Teks apapun untuk nilai titik lebur Suhu, hanya angka. Dapat berupa rentang: '100 sampai 200' Referensi (selalu ditayangkan, langsung setelah perhitungan atau 'teks apapun') Catatan (selalu ditayangkan terakhir; dapat menyertakan referensi) Bilangan, jika dalam Fahrenheit Bilangan, jika dalam Kelvin Teks apapun untuk nilai titik didih Suhu, hanya angka. Dapat berupa rentang: '100 sampai 200' Referensi (selalu ditayangkan, langsung setelah perhitungan atau 'teks apapun') Catatan (selalu ditayangkan terakhir; dapat menyertakan referensi) dalam Fahrenheit dalam Kelvin

MeltingPtPrefix is deprecated. Use |MeltingPt= for prefixes.

MeltingPtCH is deprecated. To add a range: |MeltingPtC=50 to 70

BoilingPtPrefix is deprecated. Use |BoilingPt= for prefixes.

BoilingPtCH is deprecated. To add a range: |BoilingPtC=50 to 70

| Section = {{Chembox Hazards | FlashPt = | FlashPtC = | Flash_ref = | Flash_notes = | FlashPtF = | FlashPtK = | AutoignitionPt = | AutoignitionPtC = | Autoignition_ref = | Autoignition_notes = | AutoignitionPtF = | AutoignitionPtK = }}

{{Chembox Hazards}} - all temperature parameters Teks apapun untuk nilai titik nyala. Suhu, hanya angka. Dapat berupa rentang: '100 sampai 200' Referensi (selalu ditayangkan, langsung setelah perhitungan atau 'teks apapun') Catatan (selalu ditayangkan terakhir; dapat menyertakan referensi) Bilangan, dalam Fahrenheit Bilangan, dalam Kelvin Teks apapun untuk nilai suhu penyalaan sendiri Suhu, hanya angka. Dapat berupa rentang: '100 sampai 200' Referensi (selalu ditayangkan, langsung setelah perhitungan atau 'teks apapun') Catatan (selalu ditayangkan terakhir; dapat menyertakan referensi) Bilangan, dalam Fahrenheit Bilangan, dalam Kelvin

FlashPtPrefix dideprekasi. Gunakan |FlashPt= untuk awalan.

FlashPtCH dideprekasi. Untuk menambah rentang: |FlashPtC=50 to 70

AutoignitionPtPrefix dideprekasi. Use |AutoignitionPt= untuk awalan.

AutoignitionPtCH dideprekasi. Untuk menambah rentang: |AutoignitionPtC=50 to 70

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-number → EC_number
• Identifiers: EINECS deprecated, can be used, same as EC_number
• Identifiers: CASNos → CASNoOther

All eight similar: CASNos, ChEMBLs, ChemSpiderIDs, ChEbIs, InChIs, PubChems, SMILESs, UNIIs

• PubChem_Ref not used
• EINECSCASNO removed

• Explosive: ExplosiveV → DetonationV

• Pharma: ATCCode → split over ATCCode_prefix ATCCode_suffix (3 + 4 characters)
• Pharma: PregCat → Pregnancy_category
• Pharma: PregCat_AU, PregCat_US → Pregnancy_category_AU, Pregnancy_category_US
• Pharma: legal_XX → Legal_XX uppercase L

• Hazards: ExternalMSDS → ExternalSDS
• Hazards: NSFA_Ref → NSFA_ref
• Hazards: EUIndex removed from template
• Hazards: NFPA-O → NFPA-S (NFPA-704 Special, not Other)

• Properties: MassRound → MolarMassRound (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

• Chembox templates  · Tracking categories