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Basic information
- Standard SMILES
Cn1nc(-c2ccccc2)c(C#N)c1Sc1cccc(Cl)c1- InChIKey
HLTYMHSLJJABNT-UHFFFAOYSA-N- Molecular formula
- C17H12ClN3S
- Average molar mass
- 325.824 g/mol
- Monoisotopic mass
- 325.04404606
Names & identifiers
- Preferred name
- 5-[(3-Chlorophenyl)thio]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-[(3-Chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
- English name
- 5-[(3-Chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
- Molecular formula
- C17H12ClN3S
- Molecular weight
- 325.82
Names & synonyms
1H-Pyrazole-4-carbonitrile, 5-[(3-chlorophenyl)thio]-1-methyl-3-phenyl-5-[(3-Chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
Database identifiers
- CAS
321998-36-1- PubChem CID
- 1475520
- DTXSID
DTXSID001156216- ChEMBL
CHEMBL1510314
Properties
Physicochemical properties
- Boiling point
- 528.6 · 528.6±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -2.88 · -2.88±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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