1-(2-Chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

HCID 57458236

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Basic information

CAS: 437711-24-5
Standard SMILES: FC(F)(F)c1cc(-c2ccco2)n(-c2ccccc2Cl)n1
InChIKey: NZEULIMFQVSHMZ-UHFFFAOYSA-N
Molecular formula: C14H8ClF3N2O
Average molar mass: 312.67 g/mol
Monoisotopic mass: 312.02772522

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
IUPAC: 1-(2-chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
English name: 1H-Pyrazole, 1-(2-chlorophenyl)-5-(2-furanyl)-3-(trifluoromethyl)-
Molecular formula: C14H8ClF3N2O
Molecular weight: 312.67

Names & synonyms

437711-24-51-(2-Chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazole1-(2-Chloro-phenyl)-5-furan-2-yl-3-trifluoromethyl-1H-pyrazoleMFCD263892581H-Pyrazole, 1-(2-chlorophenyl)-5-(2-furanyl)-3-(trifluoromethyl)-1-(2-chlorophenyl)-5-(2-furanyl)-3-(trifluoromethyl)-1H-pyrazole1-(2-CHLOROPHENYL)-5-(FURAN-2-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE1-(2-chlorophenyl)-5-(2-furyl)-3-(trifluoromethyl)pyrazoleSCHEMBL950629DTXSID30726645AS-6291SY276633

Show more names

DB-353862E84313F4758111-(2-chlorophenyl)-5-(2-furyl)-3-trifluoromethyl-1H-pyrazole1-(2-chlorophenyl)-5-furan-2-yl-3-trifluoromethyl-1H-pyrazole1-(2-Chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazole - [C92717]

Database identifiers

CAS: 437711-24-5
PubChem CID: 57458236
DTXSID: DTXSID30726645

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 31 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 369

Physicochemical properties

Boiling point: 386.3 · 386.3±42.0 °C(Predicted)
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
pka: -3.71 · -3.71±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501