CAS 168968-41-0

3-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole

Description:

3-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a 2-chlorophenyl group and a methyl group attached to the triazole ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the chlorophenyl moiety can influence its biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. The compound may exhibit antifungal or herbicidal properties, which are common for triazole derivatives. Its molecular structure allows for potential interactions with biological targets, making it a subject of research in medicinal chemistry. Safety and handling precautions should be observed, as with many chemical substances, due to potential toxicity or environmental impact. Overall, 3-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole is a notable compound within the triazole class, with applications that merit further investigation.

Formula: C₉H₈ClN₃

InChI: InChI=1S/C9H8ClN3/c1-13-6-11-12-9(13)7-4-2-3-5-8(7)10/h2-6H,1H3

InChI key: InChIKey=URXQIATWZMMHQM-UHFFFAOYSA-N

SMILES: CN1C(=NN=C1)C2=C(Cl)C=CC=C2

Synonyms:

• 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-
• 3-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole

3-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole

CAS: 168968-41-0

Versatile small molecule scaffold

Formula: C₉H₈ClN₃

Purity: Min. 95%

Molecular weight: 193.63 g/mol

Ref: 3D-TGA96841