Cas no 289039-21-0 (3-Bromo-5-iodobenzonitrile)

3-Bromo-5-iodobenzonitrile is a halogenated benzonitrile derivative with significant utility in organic synthesis and pharmaceutical research. Its distinct structure, featuring both bromine and iodine substituents on the aromatic ring, makes it a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura and Sonogashira couplings. The electron-withdrawing nitrile group enhances reactivity, facilitating further functionalization. This compound is particularly valuable in the development of complex molecules, including agrochemicals and bioactive compounds, due to its ability to undergo selective transformations. High purity and stability under standard conditions ensure reliable performance in synthetic applications. Its well-defined reactivity profile makes it a preferred choice for researchers requiring precise control in multi-step syntheses.
3-Bromo-5-iodobenzonitrile structure
3-Bromo-5-iodobenzonitrile structure
Product Name:3-Bromo-5-iodobenzonitrile
CAS No:289039-21-0
MF:C7H3BrIN
MW:307.91389298439
MDL:MFCD00672949
CID:915269
PubChem ID:45073541
Update Time:2025-06-07

3-Bromo-5-iodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-iodobenzonitrile
    • AG-A-58262
    • AS03705
    • CTK7C7073
    • MolPort-003-984-107
    • PubChem7754
    • CS-0131347
    • AS-10182
    • Benzonitrile, 3-bromo-5-iodo-
    • AKOS016010964
    • MFCD00672949
    • DB-068020
    • 289039-21-0
    • SCHEMBL12522817
    • DTXSID50662778
    • MDL： MFCD00672949
    • Inchi： 1S/C7H3BrIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
    • InChI Key： LHQMIDOWAGGZMD-UHFFFAOYSA-N
    • SMILES： IC1=CC(=CC(C#N)=C1)Br

Computed Properties

  • Exact Mass: 306.84900
  • Monoisotopic Mass: 306.84936g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 3
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 2.31
  • PSA: 23.79000
  • LogP: 2.92538

3-Bromo-5-iodobenzonitrile Pricemore >>

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