Cas no 935534-48-8 (3-Bromo-2,4-difluorobenzonitrile)

3-Bromo-2,4-difluorobenzonitrile is a halogenated aromatic nitrile compound with the molecular formula C?H?BrF?N. This high-purity intermediate is characterized by its bromo and fluoro substituents, which enhance its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. Its electron-withdrawing nitrile group further facilitates nucleophilic substitution, making it valuable in pharmaceutical and agrochemical synthesis. The compound's stability under standard conditions ensures consistent performance in multi-step synthetic routes. Its well-defined structure and compatibility with organometallic catalysts make it a preferred choice for constructing complex heterocycles or functionalized aromatic systems. Available in >98% purity, it meets stringent requirements for research and industrial applications.
3-Bromo-2,4-difluorobenzonitrile structure
935534-48-8 structure
Product Name:3-Bromo-2,4-difluorobenzonitrile
CAS No:935534-48-8
MF:C7H2BrF2N
MW:217.998287677765
MDL:MFCD09261256
CID:1980635
PubChem ID:53395479
Update Time:2025-06-07

3-Bromo-2,4-difluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-2,4-difluorobenzonitrile
    • 3-Bromo-2,4-difluoro-benzonitrile
    • DTXSID20694162
    • 935534-48-8
    • CS-0313352
    • CL9457
    • MFCD09261256
    • AKOS023126917
    • MDL： MFCD09261256
    • Inchi： 1S/C7H2BrF2N/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2H
    • InChI Key： CBSFRWKKLLLLNM-UHFFFAOYSA-N
    • SMILES： BrC1=C(C=CC(C#N)=C1F)F

Computed Properties

  • Exact Mass: 216.934
  • Monoisotopic Mass: 216.934
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 188
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 23.8?2

3-Bromo-2,4-difluorobenzonitrile Pricemore >>

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abcr
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