Cas no 1517611-20-9 (2-Bromo-3,4-difluorobenzonitrile)

2-Bromo-3,4-difluorobenzonitrile is a fluorinated aromatic compound featuring a bromine substituent and a nitrile functional group. Its distinct structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both bromine and fluorine atoms enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling precise modifications to the aromatic core. The nitrile group further expands its utility in heterocycle formation and derivatization. This compound is characterized by high purity and stability, ensuring consistent performance in demanding synthetic processes. Its versatility and well-defined reactivity profile make it a preferred choice for researchers developing advanced molecular architectures.
2-Bromo-3,4-difluorobenzonitrile structure
1517611-20-9 structure
Product Name:2-Bromo-3,4-difluorobenzonitrile
CAS No:1517611-20-9
MF:C7H2BrF2N
MW:217.998287677765
MDL:MFCD22490573
CID:3041974
PubChem ID:83410594
Update Time:2025-06-06

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

Names and Identifiers

    • 2-Bromo-3,4-difluorobenzonitrile
    • FCH2277482
    • PC501846
    • AK342579
    • SY162491
    • DS-12365
    • SCHEMBL19898945
    • 1517611-20-9
    • 2-Bromo-3,4-difluoro-Benzonitrile
    • AKOS023126919
    • CS-0161332
    • EN300-177569
    • C7H2BrF2N
    • CL9578
    • MFCD22490573
    • MDL: MFCD22490573
    • Inchi: 1S/C7H2BrF2N/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2H
    • InChI Key: AJSCMTNRSYZUJK-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=CC=1C#N)F)F

Computed Properties

  • Exact Mass: 216.93387g/mol
  • Monoisotopic Mass: 216.93387g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • Topological Polar Surface Area: 23.8
  • XLogP3: 2.5

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

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TRC
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TRC
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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