Cas no 182924-32-9 (1H-Pyrazole-4-carbonitrile, 5-chloro-1-phenyl-3-(trifluoromethyl)-)

1H-Pyrazole-4-carbonitrile, 5-chloro-1-phenyl-3-(trifluoromethyl)- structure
182924-32-9 structure
Product Name:1H-Pyrazole-4-carbonitrile, 5-chloro-1-phenyl-3-(trifluoromethyl)-
CAS No:182924-32-9
MF:C11H5ClF3N3
MW:271.625711202621
CID:1381643
Update Time:2024-08-16

1H-Pyrazole-4-carbonitrile, 5-chloro-1-phenyl-3-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carbonitrile, 5-chloro-1-phenyl-3-(trifluoromethyl)-
    • Inchi: 1S/C11H5ClF3N3/c12-10-8(6-16)9(11(13,14)15)17-18(10)7-4-2-1-3-5-7/h1-5H
    • InChI Key: CEJBLHFARBAVDX-UHFFFAOYSA-N
    • SMILES: N1(C2=CC=CC=C2)C(Cl)=C(C#N)C(C(F)(F)F)=N1

Computed Properties

  • Exact Mass: 271.01255

Experimental Properties

  • Density: 1.44±0.1 g/cm3(Predicted)
  • Boiling Point: 360.7±37.0 °C(Predicted)
  • PSA: 41.61
  • pka: -9.32±0.10(Predicted)
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