Cas no 22361-61-1 (2-Bromo-5-sulfamoylbenzoic acid)

2-Bromo-5-sulfamoylbenzoic acid is a versatile brominated aromatic compound featuring both a sulfamoyl (–SO?NH?) and a carboxylic acid (–COOH) functional group. Its unique structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals and agrochemicals. The bromine substituent enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling efficient derivatization. The sulfamoyl group contributes to potential bioactivity, often explored in drug discovery for enzyme inhibition or receptor modulation. The carboxylic acid moiety allows further functionalization via esterification or amidation. This compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic applications. Its multifunctional nature facilitates diverse molecular modifications, making it a useful building block in medicinal chemistry and material science research.
2-Bromo-5-sulfamoylbenzoic acid structure
22361-61-1 structure
Product Name:2-Bromo-5-sulfamoylbenzoic acid
CAS No:22361-61-1
MF:C8H6FNO
MW:151.137745380402
MDL:MFCD06355953
CID:850934
Update Time:2025-07-02

2-Bromo-5-sulfamoylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-5-sulfamoylbenzoic acid
    • 2-(2-fluorophenoxy)acetonitrile
    • 5-(aminosulfonyl)-2-bromoBenzoic acid
    • Benzoic acid, 5-(aminosulfonyl)-2-bromo-
    • 2-Fluorophenoxyacetonitrile
    • MDL: MFCD06355953
    • Inchi: 1S/C8H6FNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,6H2
    • InChI Key: QAYDDGNSGGDTDG-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1OCC#N

Computed Properties

  • Exact Mass: 151.04300
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 33.02000
  • LogP: 1.72808

2-Bromo-5-sulfamoylbenzoic acid Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

2-Bromo-5-sulfamoylbenzoic acid Pricemore >>

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