Chembox
{{ Chembox
| Chembox_ref =
<!-- Names -->
| Name =
| pronounce =
| IUPACName =
| IUPACNames = <!-- -s for plural -->
| PIN =
| SystematicName =
| OtherNames =
<!-- Image parameters: see below -->
<!-- Sections -->
| Section1 =
| Section2 =
| Section3 =
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| 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 =
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| 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 =
}}
{{ Chembox Identifiers
| Identifiers_ref =
<!--index labeling-->
| 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
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
- -----
InChI
InChI comment
InChI Key
Other InChI
- -----
UNII: Unique Ingredient Identifier, by FDA
UNII comment
Other UNII
- -----
DTXSID: CompTox Chemistry Dashboard (default: Property P3117 from Wikidata)
- -----
Abbreviations
Beilstein reference
Gmelin ID
MeSH heading, links to https://www.nlm.nih.gov/mesh/
UN number
{{ 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 =
| ElectricalResistivity =
| LambdaMax =
| Absorbance =
| BandGap =
| ElectronMobility =
| SpecRotation =
| MagSus =
| ThermalConductivity =
| RefractIndex =
| Viscosity =
| CriticalRelativeHumidity =
| Dipole =
| OrbitalHybridisation =
| SpecificSurfaceArea =
| PoreVolume =
| AveragePoreSize =
}}
{ { Chembox Properties } }
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}}}]]
Solubility6
[[{{{Solvent6}}}]]
CMC
HLB
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
Conjugate acid
Conjugate base
IsoelectricPt
ElectricalResistivity
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize
Complete list
{{ 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 } } 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 >
-->
{{ 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 } }
Pharmacokinetics
Complete list
{{ 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 } } GHS reference (e.g. Template:Sigma-Aldrich )
GHS pictograms . Use GHS templates , e.g., ={{GHS01}}{{GHS07}}
GHS signal word ("Danger", "Warning")
GHS hazard statements . Use { { H-phrases } } GHS precautionary statements . Use { { P-phrases } } { { NFPA 704 diamond } } { { NFPA 704 diamond } } 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-term exposure limit
Threshold limit value: ceiling limit
Lethal dose, 50% (median lethal dose ). Specify species and method (oral/dermal/intravenous ), e.g., 950mg/kg (rat, oral)
Lowest lethal dose
Lethal concentration, 50% (median lethal concentration )
Lowest lethal concentration
Permissible exposure limit
Recommended exposure limit
Immediately dangerous to life or health value
Link to an external safety data sheet
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 } }
Ions
Ions
Label text: "Related {{{OtherFunction_label}}}"
Other compounds
{{ Chembox Supplement
| data page pagename =
}}
{ { Chembox Supplement } }
< nowiki > {{</ nowiki > Chembox
| show_ss_note =
| general_note =
| show_infobox_ref =
<!-- bot maintained fields, do not edit -->
| Verifiedfields =
| verifiedrevid =
| Watchedfields =
}}
{ { Chembox Footer } } { { Chembox } } 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
टेम्पलेट:Chembox/doc/image-ordering
{{ Chembox
| Name =
<!-- Row 1/7 -->
| ImageFile =
| ImageSize =
| ImageAlt =
| ImageCaption =
| ImageName =
<!-- Row 2/7 -->
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageName1 =
<!-- Row 3/7 -->
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
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| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
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| ImageNameR1 =
| ImageCaptionLR1 =
<!-- etc. for Image 2, L2 R2, 3, L3 R3 -->
| ImageCaptionAll =
| <!-- ... (more Chembox parameters) -->
}}
index example
Identifiers
Compounds lbl : commentlbl1 : comment1lbl2 : comment2lbl3 : comment3lbl4 : comment4lbl5 : comment5
RTECS number {{{value}}}
{{{ 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 |}}}{{{ InIKey |}}} {{{ InChI1 |}}}{{{ InIKey1 |}}} {{{ InChI2 |}}}{{{ InChIKey2 |}}}
{{{ InChI3 |}}}{{{ InChIKey3 |}}} {{{ InChI4 |}}}{{{ InChIKey4 |}}} {{{ InChI5 |}}}{{{ InChIKey5 |}}}
{{{ SMILES |}}} {{{ SMILES1 |}}} {{{ SMILES2 |}}}
{{{ SMILES3 |}}} {{{ SMILES4 |}}} {{{ SMILES5 |}}}
{{{ DTXSID |}}} {{{ DTXSID1 |}}} {{{ DTXSID2 |}}}
{{{ DTXSID3 |}}} {{{ DTXSID4 |}}} {{{ DTXSID5 |}}}
{{{ 3DMet |}}} {{{ 3DMet1 |}}} {{{ 3DMet2 |}}}
{{{ 3DMet3 |}}} {{{ 3DMet4 |}}} {{{ 3DMet5 |}}}
{{{ EC_number |}}} {{{ EC_number1 |}}} {{{ EC_number2 |}}}
{{{ EC_number3 |}}} {{{ EC_number4 |}}} {{{ EC_number5 |}}}
{{{ RTECS |}}} {{{ RTECS1 |}}} {{{ RTECS2 |}}}
{{{ RTECS3 |}}} {{{ RTECS4 |}}} {{{ RTECS5 |}}}
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| MeltingPtC= 50 to 70| MeltingPtF= 50 to 70| MeltingPtK= 50 to 70
°C (122 °F; 323 K) °C; 50 °F; 283 K °C; −369.7 °F; 50.0 K °C (122 से 158 °F; 323 से 343 K) °C; 50 से 70 °F; 283 से 294 K °C; −369.7 से −333.7 °F; 50.0 से 70.0 K
{{ Chembox Properties
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
}}
{ { Chembox Properties } } melting point 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 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)
{{ Chembox Hazards
| FlashPt =
| FlashPtC =
| FlashPtF =
| FlashPtK =
| FlashPt_ref =
| FlashPt_notes =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPtF =
| AutoignitionPtK =
| AutoignitionPt_ref =
| AutoignitionPt_notes =
}}
{ { Chembox Hazards } } Flash point 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 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)
