1201227-12-4

Basic information

• Product Name: (1H-1,2,4-triazol-1-yl)methyl 3,5-dimethylbenzoate
• Synonyms: (1H-1,2,4-triazol-1-yl)methyl 3,5-dimethylbenzoate
• CAS NO: 1201227-12-4
• Molecular Weight: 231.254
• Mol File: 1201227-12-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (1H-1,2,4-triazol-1-yl)methyl 3,5-dimethylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: (1H-1,2,4-triazol-1-yl)methyl 3,5-dimethylbenzoate(1201227-12-4)
• EPA Substance Registry System: (1H-1,2,4-triazol-1-yl)methyl 3,5-dimethylbenzoate(1201227-12-4)

Safety Data

• Hazardous Substances Data: 1201227-12-4(Hazardous Substances Data)

Upstream product

• 74205-82-6 1-(hydroxymethyl)-1,2,4-triazole 
• 6613-44-1 3,5-dimethylbenzoyl chloride 
• 499-06-9 3,5-dimethylbenzoic acid 

Relevant articles and documents

Synthesis, structure and biological activities of novel triazole compounds containing Ester Group

Novel triazole compounds containing ester group were synthesized. Their structure were confirmed by means of IR, 1H NMR and elemental analysis. The single crystal structure of compound (1H-1,2,4-triazol-1-yl)methyl 3-(2,4-dichlorophenyl)propanoate (compound 3c) was determined via X-ray diffraction. It crystallizes in a monoclinic system with space group P2(1)/c, a = 1.0814(2) nm, b = 0.64514(13) nm, c = 1.8698(4) nm, β = 101.05(3)°, Z = 4, V = 1.2802(5) nm3, Dc = 1.557 Mg/m3, μ = 0.508 mm-1, F(000) = 616 and final R1 = 0.0700. Intermolecular hydrogen-bond and φ-φ stacking interactions exit in the lattice, facilitating the stabilization of crystal structure. The results of the biological test show that these compounds have some fungicidal activity.