CAS 1306738-32-8

2-(5-Bromo-1H-1,2,4-triazol-3-yl)benzoic acid

Description:

2-(5-Bromo-1H-1,2,4-triazol-3-yl)benzoic acid is a chemical compound characterized by its triazole and benzoic acid functional groups. The presence of the bromine atom in the triazole ring contributes to its unique reactivity and potential biological activity. This compound typically exhibits properties such as moderate solubility in polar solvents and may show varying solubility in non-polar solvents due to its aromatic structure. The carboxylic acid group in the benzoic acid moiety can participate in hydrogen bonding, influencing its interactions in biological systems and its potential as a ligand in coordination chemistry. Additionally, the triazole ring is known for its stability and ability to form complexes with metal ions, which can be relevant in medicinal chemistry and material science. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis, owing to its structural features and functional versatility.

Formula: C₉H₆BrN₃O₂

InChI: InChI=1S/C9H6BrN3O2/c10-9-11-7(12-13-9)5-3-1-2-4-6(5)8(14)15/h1-4H,(H,14,15)(H,11,12,13)

InChI key: InChIKey=QLBIIHDSISGRRD-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C=CC=C1)C2=NN=C(Br)N2

Synonyms:

• 2-(5-Bromo-1H-1,2,4-triazol-3-yl)benzoic acid
• Benzoic acid, 2-(5-bromo-1H-1,2,4-triazol-3-yl)-