4-Chloro-1-phenylpyrazole
Basic information
- CAS
6831-92-1- Standard SMILES
Clc1cnn(-c2ccccc2)c1- InChIKey
OAWHISBYSDFHHU-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2
- Average molar mass
- 178.62 g/mol
- Monoisotopic mass
- 178.0297759
Names & identifiers
- Preferred name
- 4-Chloro-1-phenylpyrazole
- IUPAC
- 4-chloro-1-phenylpyrazole
- English name
- 4-Chloro-1-phenyl-1H-pyrazole
- Molecular formula
- C9H7ClN2
- Molecular weight
- 178.62
Names & synonyms
4-Chloro-1-phenylpyrazole4-Chloro-1-phenyl-1H-pyrazole6831-92-1MFCD00234512Pyrazole, 4-chloro-1-phenyl-1-Phenyl-4-chloropyrazole1H-Pyrazole, 4-chloro-1-phenyl-4-chloro-1-phenyl-pyrazoleSCHEMBL533448SCHEMBL9804006SCHEMBL9804024DTXSID70345011
Show more names
OAWHISBYSDFHHU-UHFFFAOYSA-N4-Chloro-1-phenyl-1H-pyrazole #SBB089480AKOS003662314BS-29325SY379429DB-073996ST45100294
Database identifiers
- CAS
6831-92-1- PubChem CID
- 601137
- DTXSID
DTXSID70345011- EC Number
- 879-526-5
- Nikkaji
- J46.141E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 74 · 74-76 °C
- Boiling point
- 106 °C · 106 °C(Press: 1 Torr)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.10(Predicted)
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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