Chembox templates |
|---|
|
|
|---|
{{Chembox
| Chembox_ref =
<!-- 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 =
}}
|
|
|
|
|---|
|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 =
}}
|
{{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
------DTXSID (CompTox; U.S. EPA)
DTXSID: CompTox Chemistry Dashboard (default: Property P3117 from Wikidata)
------
Abbreviations
Beilstein reference
Gmelin ID
UN number
MeSH heading, links to https://www.nlm.nih.gov/mesh/
|
|
|
|
|---|
| 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 =
| Solubility6 =
| Solvent6 =
| 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=
Critical temperature and pressure
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
Conjugate acid
Conjugate base
IsoelectricPt
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize
|
|
|
|
|---|
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
|
|
|
|
|---|
Complete list
Note: Add units like
kJ·mol<sup>−1</sup>
J·mol<sup>−1</sup>·K<sup>−1</sup>
- Deprecated parameters
- DeltaHf → use DeltaHform
- DeltaGf → use DeltaGfree
- DeltaHc → use DeltaHcombust
|
|
|
|
|---|
| Section6 = {{Chembox Pharmacology
| Pharmacology_ref =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| ATCvet =
| Drug_class =
| 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 =
| Dependence_liability =
| Addiction_liability =
| AdminRoutes =
| Bioavail =
| ProteinBound =
| Metabolism =
| Metabolites =
| OnsetOfAction =
| HalfLife =
| DurationOfAction =
| Excretion =
}}
|
{{Chembox Pharmacology}}
Ordered as shown by template
Pharmacokinetics
|
- Complete list
|
|
|
|---|
| Section7 = {{Chembox Hazards
| Hazards_ref =
| GHS_ref =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
| OHS_ref =
| MainHazards =
| IngestionHazard =
| InhalationHazard =
| EyeHazard =
| SkinHazard =
| NFPA-H =
| NFPA-F =
| NFPA-I =
| 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 =
<!-- (data page) -->
| ExternalSDS =
}}
| {{Chembox Hazards}} - complete list
GHS reference
GHS pictogram by name (Category:GHS templates), |GHSPictograms={{GHS01}}{{GHS07}}
GHS Signal Word ("Danger", "Warning")
GHS Hazard statements, use {{H-phrases}}
GHS Precautionary statements {{P-phrases}}
NFPA 704:
Health, blue. Health hazard code (0–4 or -)
Flammability by , red. See {{NFPA 704 diamond}} documentation
Instability (reactivity), yellow. Instability hazard code (0–4 or -). "NFPA-R=" is also allowed
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)
Threshold Limit Value
Threshold Limit Value: Time Weighted Average
Threshold Limit Value: Short Time Exposure Limit
Threshold Limit Value Ceiling
Lethal Dose in 50% (median lethal dose) specify species and whether oral / dermal / intravenous; eg, 950mg/kg (rat, oral)
Lethal Dose Low
Lethal Concentration in 50%, or median lethal concentration
Permissible exposure limit
Recommended exposure limit
Immediately dangerous to life or health 'dose'
Link to an external Safety data sheet (SDS) |
|
|
|
|---|
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
|
|
|
|
|---|
| Section = {{Chembox Supplement
| data page pagename =
}}
|
{{Chembox Supplement}} - القائمة الكاملة
Set data page name, default is: Chembox Pharmacology/doc (صفحة البيانات)
|
{{Chembox
| style-left-column-width =
| show_ss_note =
| general_note =
| show_infobox_ref =
<!-- bot maintained fields, do not edit -->
| Verifiedfields =
| verifiedrevid =
| Watchedfields =
}}
|
{{Chembox Footer}} - (Chembox internal only; parameters entered in main {{Chembox}})
Set lefthand text column width (default is 40%; see also 'width=' option in {{Chembox}})
Set '=no' will hide the standard state notice
Allows a general note in the bottom box
Set '=no' will hide the infobox reference notice
Bot maintained
Do not edit, add or remove these fields
|
|
|
|
|---|
| Chembox image ordering ( v • [{{fullurl:Template:{{{template}}}|action=edit}} edit] )
|
| 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 -->
|ImageCaptionAll=
| <!-- ... (more Chembox parameters) -->
}}
|
|
|
|---|
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 Fahrenheit
number, when in Kelvin
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 Fahrenheit
number, when in Kelvin
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 Fahrenheit
number, when in Kelvin
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 Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
|
|
|
|
|---|
- {{Chembox}}: Reference, preferred use Chembox_ref -- more specific (into Chembox header)
- {{Chembox Dipole}} -reused
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 = ...}}
- Hazards: RPhrases (see {{GHS phrases}}) deprecated & abandoned ca. Dec2021
- Hazards: SPhrases (see {{GHS phrases}})
- Hazards: RSPhrases
- Hazards: Hazard data page (never documented, unused 2021-12)
- § Replacement_R-,_S-phrases,_EUclass_with_GHS:_completed
- 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)
- Thermodynamics: DeltaHf → DeltaHForm
- Thermodynamics: DeltaGf → DeltaGfree
- Thermodynamics: DeltaHc → DeltaHCombust
- 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
- Hazards: EUIndex (unkown history)
- Hazards: EUHazardSymbol (unkown history)
|
|
|
|---|
By {{Chembox}} and {{Infobox drug}} settings, a CheMoBot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article.
A template like {{cascite}} is added and set by CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized for maintenance.
For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See
See also: {{ Cascite}} documentation |
|
|
