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Atomfair 3-Bromo-5-cyanobenzoic acid C8H4BrNO2

Description 3-Bromo-5-cyanobenzoic acid (CAS No. 453566-14-8) is a high-purity aromatic carboxylic acid derivative with the molecular formula C8H4BrNO2. This compound features both bromo and cyano functional groups ortho to the carboxylic acid moiety, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Its molecular weight of 226.03 g/mol and precise structural configuration ensure reliable reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic synthesis. Supplied as a white to off-white crystalline powder with ??95% purity (HPLC), it is ideal for demanding synthetic applications. Store in a cool, dry place under inert conditions to…

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Description

Description

3-Bromo-5-cyanobenzoic acid (CAS No. 453566-14-8) is a high-purity aromatic carboxylic acid derivative with the molecular formula C8H4BrNO2. This compound features both bromo and cyano functional groups ortho to the carboxylic acid moiety, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Its molecular weight of 226.03 g/mol and precise structural configuration ensure reliable reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic synthesis. Supplied as a white to off-white crystalline powder with ??95% purity (HPLC), it is ideal for demanding synthetic applications. Store in a cool, dry place under inert conditions to maintain stability.

  • CAS No: 453566-14-8
  • Molecular Formula: C8H4BrNO2
  • Molecular Weight: 226.03
  • Exact Mass: 224.94254
  • Monoisotopic Mass: 224.94254
  • IUPAC Name: 3-bromo-5-cyanobenzoic acid
  • SMILES: C1=C(C=C(C=C1C(=O)O)Br)C#N
  • Synonyms: 3-BROMO-5-CYANOBENZOIC ACID, 453566-14-8, DTXSID40620504, DTXCID30571258, 636-944-0

Application

3-Bromo-5-cyanobenzoic acid is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and functional materials. Its reactive bromo and cyano groups enable Suzuki-Miyaura couplings and other palladium-catalyzed transformations. Researchers employ it in the development of liquid crystals, organic semiconductors, and metal-organic frameworks (MOFs). The compound’s carboxylic acid functionality also facilitates peptide coupling and coordination chemistry applications.

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