Pang-bô͘: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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

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[kái goân-sú-bé]

Recently added[kái goân-sú-bé]

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=)
Pang-bô͘:Mxt, Pang-bô͘:Mxt
  • Temperatures


Indexed parameters[kái goân-sú-bé]

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[kái goân-sú-bé]

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

More on Images[kái goân-sú-bé]

/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[kái goân-sú-bé]

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[kái goân-sú-bé]

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
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