3-(4-Chloro-O-Tolyl)-5-Phenyl-1H-1,2,4-Triazole
[CAS# 85303-94-2]

Identification

• Name: 3-(4-Chloro-O-Tolyl)-5-Phenyl-1H-1,2,4-Triazole
• Synonyms: 3-(4-Chloro-2-Methyl-Phenyl)-5-Phenyl-2H-1,2,4-Triazole; 3-(4-Chloro-2-Methylphenyl)-5-Phenyl-S-Triazole; 3-(4-Chloro-O-Tolyl)-5-Phenyl-S-Triazole
• Molecular Formula: C₁₅H₁₂ClN₃
• Molecular Weight: 269.73
• CAS Registry Number: 85303-94-2
• SMILES: C1=C(Cl)C=CC(=C1C)C2=NC(=N[NH]2)C3=CC=CC=C3
• InChI: 1S/C15H12ClN3/c1-10-9-12(16)7-8-13(10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18,19)
• InChIKey: LGVUPKLKXKOWAC-UHFFFAOYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 476.559°C at 760 mmHg (Cal.)
• Flash point: 274.219°C (Cal.)