Phenyl-(3-Phenyl-1,2,4-Triazol-1-Yl)Methanone
[CAS# 79746-00-2]

Identification

• Name: Phenyl-(3-Phenyl-1,2,4-Triazol-1-Yl)Methanone
• Synonyms: 1-Benzoyl-3-Phenyl-1H-1,2,4-Triazole
• Molecular Formula: C₁₅H₁₁N₃O
• Molecular Weight: 249.27
• CAS Registry Number: 79746-00-2
• SMILES: C1=NC(=N[N]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3
• InChI: 1S/C15H11N3O/c19-15(13-9-5-2-6-10-13)18-11-16-14(17-18)12-7-3-1-4-8-12/h1-11H
• InChIKey: RWZKIUVDWMAQGQ-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 451.563°C at 760 mmHg (Cal.)
• Flash point: 226.897°C (Cal.)