1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-(4-(methylsulfonyl)phenyl)-
Basic information
- CAS
14295-72-8- Standard SMILES
CS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1- InChIKey
PEQYZILRIJSUBO-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2O2S
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.0542766
Names & identifiers
- Preferred name
- 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-(4-(methylsulfonyl)phenyl)-
- IUPAC
- 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
- English name
- 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulphonyl)phenyl]-1H-pyrazole
- Molecular formula
- C16H15ClN2O2S
- Molecular weight
- 334.82
Names & synonyms
14295-72-8EINECS 238-225-31H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-DTXSID30657461H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-(4-(methylsulfonyl)phenyl)-RefChem:438933DTXCID40346551H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-4-(methylsulfonyl)phenyl-Brightener AD3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(methylsulphonyl)phenyl)-1H-pyrazole3-(4-Chlorophenyl)-1-(4-(methylsulfonyl)phenyl)-4,5-dihydro-1H-pyrazole3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulphonyl)phenyl]-1H-pyrazole
Show more names
1-(4-METHYLSULPHONYLPHENYL)-3-(4-CHLOROPHENYL)-DELTA-2-PYR.3-(4-Chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-1H-pyrazole3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-1H-Pyrazole 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol
3-(4-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-4,5-dihydro-1H-pyrazolePEQYZILRIJSUBO-UHFFFAOYSA-N5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazoleCBDivE_008066SCHEMBL554460STK367332AKOS005444377DB-267925
Database identifiers
- CAS
14295-72-8- PubChem CID
- 84333
- DTXSID
DTXSID3065746- EC Number
- 238-225-3
- Nikkaji
- J216.948G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Boiling point
- 527.2 · 527.2±60.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -2 · -2.00±0.70(Predicted)
- EPA Substance Registry System
- 1 H-Pyrazole, · 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]- (14295-72-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-4-(methylsulfonyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-: INACTIVE
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Compound notes
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