CAS 1242268-20-7

5-(Chloromethyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid

Description:

5-(Chloromethyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid 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 chloromethyl group and a fluorophenyl substituent, contributing to its unique reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit biological activity. The fluorine atom in the phenyl ring can enhance lipophilicity and influence the compound's pharmacokinetic properties. This compound is typically synthesized through multi-step organic reactions, and its properties, such as solubility, stability, and reactivity, can vary based on the specific conditions of synthesis and storage. As with many triazole derivatives, it may exhibit antifungal or herbicidal properties, making it of interest in agricultural and medicinal chemistry. Safety data and handling precautions should be observed due to the presence of chlorine and the potential for biological activity.

Formula: C₁₀H₇ClFN₃O₂

InChI: InChI=1S/C10H7ClFN3O2/c11-5-8-13-9(10(16)17)14-15(8)7-3-1-6(12)2-4-7/h1-4H,5H2,(H,16,17)

InChI key: InChIKey=AIRRVKYQMITZJP-UHFFFAOYSA-N

SMILES: C(Cl)C=1N(N=C(C(O)=O)N1)C2=CC=C(F)C=C2

Synonyms:

• 5-(Chloromethyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid
• 1H-1,2,4-Triazole-3-carboxylic acid, 5-(chloromethyl)-1-(4-fluorophenyl)-