CAS 1312135-90-2

1-(2-Bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

Description:

1-(2-Bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound features a bromophenyl group and a trifluoromethyl group, contributing to its distinct chemical properties and potential reactivity. The presence of the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The trifluoromethyl group is known for imparting lipophilicity and can influence the compound's biological activity. Additionally, the bromine atom can serve as a site for further chemical modifications or substitutions. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or materials science, particularly due to its potential biological activity and the ability to form various derivatives. Its specific interactions and stability would depend on the surrounding conditions, such as pH and solvent environment.

Formula: C₁₀H₅BrF₃N₃O₂

InChI: InChI=1S/C10H5BrF3N3O2/c11-5-3-1-2-4-6(5)17-8(10(12,13)14)7(9(18)19)15-16-17/h1-4H,(H,18,19)

InChI key: InChIKey=MKCMFELNDRUHDJ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(N=NC1C(O)=O)C2=C(Br)C=CC=C2

Synonyms:

• 1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-bromophenyl)-5-(trifluoromethyl)-
• 1-(2-Bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid