CAS 1087784-52-8

3-Chloro-4,5-bis(2-methylphenyl)-4H-1,2,4-triazole

Description:

3-Chloro-4,5-bis(2-methylphenyl)-4H-1,2,4-triazole 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 chlorine atom and two 2-methylphenyl groups attached to the triazole ring, contributing to its unique chemical properties and potential applications. The presence of the chlorine atom may enhance its reactivity and influence its solubility in various solvents. The compound is likely to exhibit biological activity, making it of interest in fields such as pharmaceuticals and agrochemicals. Its molecular structure suggests potential interactions with biological targets, which could lead to various pharmacological effects. Additionally, the presence of multiple aromatic rings may impart stability and influence the compound's physical properties, such as melting point and boiling point. As with many triazole derivatives, it may also exhibit fungicidal or herbicidal properties, making it relevant in agricultural chemistry. Safety and handling precautions should be observed due to the potential toxicity associated with halogenated compounds.

Formula: C₁₆H₁₄ClN₃

InChI: InChI=1S/C16H14ClN3/c1-11-7-3-5-9-13(11)15-18-19-16(17)20(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3

InChI key: InChIKey=OHCMNSBOSKYQLY-UHFFFAOYSA-N

SMILES: ClC=1N(C(=NN1)C2=C(C)C=CC=C2)C3=C(C)C=CC=C3

Synonyms:

• 4H-1,2,4-Triazole, 3-chloro-4,5-bis(2-methylphenyl)-
• 3-Chloro-4,5-bis(2-methylphenyl)-4H-1,2,4-triazole