5-Chloro-1-phenyl-1H-pyrazole
Basic information
- CAS
1127-84-0- Standard SMILES
Clc1ccnn1-c1ccccc1- InChIKey
OIYKQIJGNAJVOI-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2
- Average molar mass
- 178.62 g/mol
- Monoisotopic mass
- 178.0297759
Names & identifiers
- Preferred name
- 5-Chloro-1-phenyl-1H-pyrazole
- IUPAC
- 5-chloro-1-phenylpyrazole
- English name
- 5-Chloro-1-phenyl-1H-pyrazole
- Molecular formula
- C9H7ClN2
- Molecular weight
- 178.62
Names & synonyms
5-Chloro-1-phenyl-1H-pyrazole1127-84-05-Chloro-1-phenylpyrazolePyrazole, 5-chloro-1-phenyl-1H-Pyrazole, 5-chloro-1-phenyl-1-Phenyl-5-chloropyrazoleSCHEMBL27906302OIYKQIJGNAJVOI-UHFFFAOYSA-NDTXSID5013478805-Chloro-1-phenyl-1H-pyrazole #AKOS021562562Q63398339
Database identifiers
- CAS
1127-84-0- PubChem CID
- 601140
- DTXSID
DTXSID501347880- Nikkaji
- J46.142C
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- Boiling point
- 250 °C · 250 °C
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.79 · -1.79±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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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