Cas no 49674-15-9 (3-Bromo-5-nitrobenzonitrile)

3-Bromo-5-nitrobenzonitrile is a versatile aromatic compound featuring both bromo and nitro substituents on a benzonitrile core, making it a valuable intermediate in organic synthesis. The bromine atom provides a reactive site for cross-coupling reactions, such as Suzuki or Heck couplings, while the nitro group offers opportunities for further functionalization, including reduction to amines or nucleophilic aromatic substitution. The nitrile group enhances reactivity in cyclization and condensation reactions. This compound is particularly useful in pharmaceutical and agrochemical research for constructing complex heterocycles or fine-tuning molecular properties. Its well-defined reactivity and stability under standard conditions make it a reliable building block for advanced synthetic applications.
3-Bromo-5-nitrobenzonitrile structure
3-Bromo-5-nitrobenzonitrile structure
Product Name:3-Bromo-5-nitrobenzonitrile
CAS No:49674-15-9
MF:C7H3BrN2O2
MW:227.014920473099
MDL:MFCD00463804
CID:856744
PubChem ID:5152425
Update Time:2025-10-29

3-Bromo-5-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-nitrobenzonitrile
    • 1-Bromo-3-cyano-5-nitrobenzene
    • 3-Nitro-5-bromobenzonitrile
    • Benzonitrile, 3-broMo-5-nitro-
    • 3-Brom-5-nitrobenzonitril
    • 3-Bromo-5-nitrobenzonitrile,
    • RQGCXODNTLHVQJ-UHFFFAOYSA-N
    • 5-bromo-3-nitrobenzenecarbonitrile
    • STK365704
    • OR11657
    • FCH1326333
    • AB0033168
    • AX8219709
    • ST51057459
    • X6640
    • ST24041
    • DTXCID70359759
    • 49674-15-9
    • AKOS005442639
    • AS-42006
    • EN300-211543
    • SY296794
    • MFCD00463804
    • ZBA67415
    • DTXSID60408907
    • SCHEMBL3511140
    • DA-17599
    • CS-0060188
    • MDL： MFCD00463804
    • Inchi： 1S/C7H3BrN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
    • InChI Key： RQGCXODNTLHVQJ-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C#N)C=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 225.93800
  • Monoisotopic Mass: 225.93779g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • 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: 69.6
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.81
  • Melting Point: 84-85 oC
  • Boiling Point: 283 oC
  • Flash Point: 125 oC
  • PSA: 69.61000
  • LogP: 2.75218

3-Bromo-5-nitrobenzonitrile Security Information

3-Bromo-5-nitrobenzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Bromo-5-nitrobenzonitrile Pricemore >>

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3-Bromo-5-nitrobenzonitrile Production Method

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