CAS 1221792-24-0

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

Description:

5-(Chloromethyl)-1-phenyl-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, which enhances its reactivity and potential for further chemical modifications. The presence of a phenyl group contributes to its aromatic properties, while the carboxylic acid functional group indicates acidic characteristics, allowing for hydrogen bonding and solubility in polar solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal agents. Its molecular structure suggests potential applications in various fields, including material science and organic synthesis. As with many triazole derivatives, it may also possess antifungal or antimicrobial properties, although specific biological activities would require empirical investigation. Proper handling and safety measures should be observed due to the presence of the chloromethyl group, which can be reactive and potentially hazardous.

Formula: C₁₀H₈ClN₃O₂

InChI: InChI=1S/C10H8ClN3O2/c11-6-8-12-9(10(15)16)13-14(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)

InChI key: InChIKey=UYDVSJICHNMPSU-UHFFFAOYSA-N

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

Synonyms:

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