Pang-bô͘:Chembox/doc/full parameter list
This page lists theparameters 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[修改]
{{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[修改]
|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[修改]
| 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[修改]
Complete 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[修改]
Complete 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 <source lang="html">
kJ͘mol−1 J͘mol−1͘K−1
</source>
Chembox Explosive[修改]
| 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[修改]
| 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[修改]
| 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都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多60'。 Also _PtF, _PtK。 (see: temperatures) Autoignition point, any text Temperature, number in C。 Can be a range: '50多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[修改]
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[修改]
Recently added[修改]
Template:Chembox/doc/recently added/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=
)
- Properties: Pang-bô͘:Mxt,Pang-bô͘:Mxt,Pang-bô͘:Mxt,Pang-bô͘:Mxt,Pang-bô͘:Mxt,Pang-bô͘:Mxt, up都the 118 elements
- 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[修改]
- 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[修改]
- Is added automatically when article
{{PAGENAME (data page)
exists。
More on Images[修改]
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 |
<source lang="html" highlight="1,2,35,36">
</source> |
More on Temperatures[修改]
Four or less parameters are needed to present temperature data:
|
Decomposes when >_50 °C (122 °F; 323 K)[1]_My notes[2] |
The options for conversion: |
|
| 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多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多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多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多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[修改]
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