Cas no 24999-51-7 (3-bromobenzoyl cyanide)

3-Bromobenzoyl cyanide (CAS 36866-78-9) is a versatile organic intermediate primarily used in pharmaceutical and agrochemical synthesis. Its key functional groups—a benzoyl cyanide moiety and a bromine substituent at the meta position—enable selective reactivity in cross-coupling reactions, nucleophilic substitutions, and cyclization processes. The compound's stability under standard conditions and high purity make it suitable for precision applications in heterocycle formation and active pharmaceutical ingredient (API) development. Its bromine atom further facilitates further functionalization via metal-catalyzed reactions, such as Suzuki or Buchwald-Hartwig couplings. Proper handling under inert conditions is recommended due to its sensitivity to moisture and potential lachrymatory effects.
3-bromobenzoyl cyanide structure
3-bromobenzoyl cyanide structure
Product Name:3-bromobenzoyl cyanide
CAS No:24999-51-7
MF:C8H4BrNO
MW:210.027461051941
MDL:MFCD06658370
CID:254337
PubChem ID:12948912
Update Time:2025-05-28

3-bromobenzoyl cyanide Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,3-bromo-a-oxo-
    • (3-BROMOPHENYL)OXO-ACETONITRILE
    • 3-bromobenzoyl cyanide
    • Benzeneacetonitrile,3-bromo-a-oxo
    • m-bromobenzoyl cyanide
    • (3-Bromo-phenyl)-oxo-acetonitrile
    • MFCD06658370
    • Benzeneacetonitrile, 3-bromo-alpha-oxo-
    • 24999-51-7
    • 3-Bromobenzene-1-carbonyl cyanide
    • AKOS024258352
    • DTXSID00513685
    • A817596
    • F2167-3918
    • SB36178
    • SCHEMBL22187763
    • 3-BROMOBENZOYLCYANIDE
    • EN300-265406
    • MDL： MFCD06658370
    • Inchi： 1S/C8H4BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H
    • InChI Key： ZYKLXMMQMSIZBZ-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(C(C#N)=O)=C1

Computed Properties

  • Exact Mass: 208.94800
  • Monoisotopic Mass: 208.94763g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 2.9
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • PSA: 40.86000
  • LogP: 2.15538

3-bromobenzoyl cyanide 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-bromobenzoyl cyanide Pricemore >>

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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0171-25g
(3-Bromo-phenyl)-oxo-acetonitrile
 24999-51-7 96%
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 5919.34CNY 2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0171-100g
(3-Bromo-phenyl)-oxo-acetonitrile
 24999-51-7 96%
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 18996.15CNY 2021-05-08
eNovation Chemicals LLC
Y1008590-5g
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