Cas no 1266996-50-2 (3-(3,5-Difluorophenyl)benzonitrile)

3-(3,5-Difluorophenyl)benzonitrile is a fluorinated aromatic nitrile compound with potential applications in pharmaceuticals, agrochemicals, and materials science. Its key structural features include a benzonitrile core substituted with a 3,5-difluorophenyl group, offering enhanced reactivity and stability for further functionalization. The presence of fluorine atoms improves lipophilicity and metabolic stability, making it valuable in drug discovery. This compound serves as a versatile intermediate in cross-coupling reactions, nucleophilic substitutions, and other synthetic transformations. Its high purity and well-defined structure ensure reproducibility in research and industrial processes. Suitable for use in organic synthesis, it is particularly relevant in the development of bioactive molecules and advanced materials.
3-(3,5-Difluorophenyl)benzonitrile structure
1266996-50-2 structure
Product Name:3-(3,5-Difluorophenyl)benzonitrile
CAS No:1266996-50-2
MF:C13H7F2N
MW:215.198189973831
CID:2769243
Update Time:2025-05-27

3-(3,5-Difluorophenyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(3,5-Difluorophenyl)benzonitrile
    • Z9333
    • 3',5'-Difluoro[1,1'-biphenyl]-3-carbonitrile
    • [1,1'-Biphenyl]-3-carbonitrile, 3',5'-difluoro-
    • Inchi: 1S/C13H7F2N/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-7H
    • InChI Key: LQGPJBUJWILMAW-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C1C=CC=C(C#N)C=1)F

Computed Properties

  • Exact Mass: 215.05465555 g/mol
  • Monoisotopic Mass: 215.05465555 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 273
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 215.20
  • XLogP3: 3.5
  • Topological Polar Surface Area: 23.8

3-(3,5-Difluorophenyl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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