1609278-13-8

Basic information

• Product Name: C₁₂H₁₅ClN₂O₂
• Synonyms: C₁₂H₁₅ClN₂O₂
• CAS NO: 1609278-13-8
• Molecular Weight: 254.716
• Mol File: 1609278-13-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₂H₁₅ClN₂O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₂H₁₅ClN₂O₂(1609278-13-8)
• EPA Substance Registry System: C₁₂H₁₅ClN₂O₂(1609278-13-8)

Safety Data

• Hazardous Substances Data: 1609278-13-8(Hazardous Substances Data)

Upstream product

• 40546-35-8 ethyl propanimidate hydrochloride 
• 536-40-3 4-chlorobenzoic acid hydrazide 

Downstream Products

• 1609278-14-9 4-amino-3-(ethyl)-5-(4-chlorophenyl)-4H-1,2,4-triazole 

Relevant articles and documents

Synthesis, spectroscopic and structural studies of 4-Amino-3-(ethyl)-5-(4- chlorophenyl)-4H-1,2,4-triazole and 4-Amino-3-cyclopropyl-5-oxo-4,5-dihydro-1,2, 4-triazole-1-yl-acetic acid ethyl ester

The title compounds of 4-Amino-3-(ethyl)-5-(4-chlorophenyl)-4H-1,2,4- triazole (I, C10H11ClN4) and 4-Amino-3-cyclopropyl-5-oxo-4,5-dihydro-1,2,4-triazol-1-yl-acetic acid ethyl ester (II, C9H14N4O3), have been determined using X-ray diffraction techniques and characterized by IR, 1H NMR and 13C NMR. X-ray study shows that the title compounds both have strong intermolecular N-H?N hydrogen bonds. The molecules of I are linked into a two-dimensional framework structure by N-H?N and C-H?N hydrogen bonds which produce R2 2(8)R44(14)R44(15) chain of rings, while in II, the combination of N-H?N, N-H?O and C-H?O hydrogen bonds along [1 0 0] generates a chain of edge-fused R 22(10)R22(16)R4 2(14) R44(14) rings.