Cas no 77532-78-6 (2-Bromo-6-methylbenzonitrile)

2-Bromo-6-methylbenzonitrile is a versatile aromatic compound featuring a bromine substituent and a nitrile functional group on a methyl-substituted benzene ring. Its molecular structure (C8H6BrN) makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine atom offers reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the nitrile group provides a handle for further functionalization. The methyl group enhances stability and influences regioselectivity in electrophilic substitutions. This compound is commonly employed in the preparation of heterocycles, ligands, and active pharmaceutical ingredients (APIs). Its high purity and well-defined reactivity profile make it a reliable building block for research and industrial processes.
2-Bromo-6-methylbenzonitrile structure
2-Bromo-6-methylbenzonitrile structure
Product Name:2-Bromo-6-methylbenzonitrile
CAS No:77532-78-6
MF:C8H6BrN
MW:196.043941020966
MDL:MFCD09834775
CID:859658
PubChem ID:20296692
Update Time:2025-06-10

2-Bromo-6-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-6-methylbenzonitrile
    • BENZONITRILE, 2-BROMO-6-METHYL-
    • 2-Bromo-6-methyl-benzonitrile
    • 3-BROMO-2-CYANOTOLUENE
    • Brom-a-cyanotoluol
    • PubChem22122
    • KSC494E3D
    • CL8157
    • FCH874039
    • RL04973
    • AS05807
    • CM12983
    • BC004754
    • ST2409723
    • AB0026690
    • AX8164350
    • W8414
    • MDL： MFCD09834775
    • Inchi： 1S/C8H6BrN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
    • InChI Key： AEQBTIZIDSFIGT-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(C)=C1C#N

Computed Properties

  • Exact Mass: 194.96800
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 158
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Density: 1.51±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 99 oC
  • Boiling Point: 280.5±28.0 oC (760 Torr),
  • Flash Point: 123.4±24.0 oC,
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),
  • PSA: 23.79000
  • LogP: 2.62918

2-Bromo-6-methylbenzonitrile 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%

2-Bromo-6-methylbenzonitrile Pricemore >>

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TRC
B697048-100mg
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 $ 64.00 2023-04-18
TRC
B697048-250mg
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 $ 75.00 2023-04-18
TRC
B697048-500mg
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 $ 87.00 2023-04-18
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2-Bromo-6-methylbenzonitrile Production Method

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