CAS 1097050-88-8

1H-1,2,3-Triazole-4-carboxylic acid, 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-

Description:

1H-1,2,3-Triazole-4-carboxylic acid, 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl- is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a carboxylic acid functional group, contributing to its acidity and potential reactivity in various chemical reactions. The presence of a chloro group and a trifluoromethyl group on the phenyl ring enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The methyl group at the 5-position of the triazole ring can also affect the compound's steric and electronic properties. This compound may exhibit various properties such as solubility in organic solvents, potential for hydrogen bonding due to the carboxylic acid, and reactivity in nucleophilic substitution reactions. Its unique structure and functional groups suggest potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis.

Formula: C₁₁H₇ClF₃N₃O₂

InChI: InChI=1S/C11H7ClF3N3O2/c1-5-9(10(19)20)16-17-18(5)6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,19,20)

InChI key: InChIKey=YVXJQVCNYKTYRY-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Chloro-3-trifluoromethyl-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid
• 1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
• 1H-1,2,3-Triazole-4-carboxylic acid, 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-