Cas no 1160574-31-1 (3-Chloro-2,5-dibromobenzonitrile)

3-Chloro-2,5-dibromobenzonitrile is a halogenated benzonitrile derivative with a molecular formula of C?H?Br?ClN. This compound is characterized by its high purity and stability, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of chloro and bromo substituents enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling precise functionalization. Its nitrile group further expands its utility in cyclization and condensation reactions. The compound is typically supplied as a crystalline solid with well-defined melting points, ensuring consistent performance in synthetic applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light.
3-Chloro-2,5-dibromobenzonitrile structure
1160574-31-1 structure
Product Name:3-Chloro-2,5-dibromobenzonitrile
CAS No:1160574-31-1
MF:C7H2Br2ClN
MW:295.35847902298
MDL:MFCD11846068
CID:4574273
Update Time:2025-06-07

3-Chloro-2,5-dibromobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,5-dibromo-3-chlorobenzonitrile
    • 3-Chloro-2,5-dibromobenzonitrile
    • MDL: MFCD11846068
    • Inchi: 1S/C7H2Br2ClN/c8-5-1-4(3-11)7(9)6(10)2-5/h1-2H
    • InChI Key: XCRQAJPVMUVALD-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC(Br)=CC(Cl)=C1Br

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0

3-Chloro-2,5-dibromobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Oakwood
037748-5g
3-Chloro-2,5-dibromobenzonitrile
1160574-31-1
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$1243.00 2023-09-16
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