CAS 1087792-43-5

3-Chloro-4-(1-methylethyl)-5-phenyl-4H-1,2,4-triazole

Description:

3-Chloro-4-(1-methylethyl)-5-phenyl-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 chloro substituent at the 3-position and an isopropyl group at the 4-position, along with a phenyl group at the 5-position of the triazole ring. The presence of these functional groups contributes to its potential biological activity and chemical reactivity. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or as a research chemical, particularly in studies related to antifungal or herbicidal properties. Its specific interactions and stability can be influenced by environmental factors such as pH and temperature. As with many triazole derivatives, it may also participate in coordination chemistry, forming complexes with metal ions. Safety data should be consulted for handling and usage, as with any chemical substance.

Formula: C₁₁H₁₂ClN₃

InChI: InChI=1S/C11H12ClN3/c1-8(2)15-10(13-14-11(15)12)9-6-4-3-5-7-9/h3-8H,1-2H3

InChI key: InChIKey=LNJVYAJPRZHFJW-UHFFFAOYSA-N

SMILES: C(C)(C)N1C(=NN=C1Cl)C2=CC=CC=C2

Synonyms:

• 4H-1,2,4-Triazole, 3-chloro-4-(1-methylethyl)-5-phenyl-
• 3-Chloro-4-(1-methylethyl)-5-phenyl-4H-1,2,4-triazole

3-Chloro-5-phenyl-4-(propan-2-yl)-4H-1,2,4-triazole

CAS: 1087792-43-5

Versatile small molecule scaffold

Formula: C₁₁H₁₂ClN₃

Purity: Min. 95%

Molecular weight: 221.68 g/mol

Ref: 3D-MTB79243