2-Phenyl-5-(2-Phenylethyl)-1,2-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 28669-38-7]

Identification

• Name: 2-Phenyl-5-(2-Phenylethyl)-1,2-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 1-phenyl-3-(2-phenylethyl)-1H-1,2,4-triazol-5-ol; ZINC03845665
• Molecular Formula: C₁₆H₁₅N₃O
• Molecular Weight: 265.31
• CAS Registry Number: 28669-38-7
• SMILES: O=C2/N=C(\NN2c1ccccc1)CCc3ccccc3
• InChI: 1S/C16H15N3O/c20-16-17-15(12-11-13-7-3-1-4-8-13)18-19(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18,20)
• InChIKey: NOKVUYNZRRMKIS-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Melting point: 182°C (Expl.)
• Boiling point: 400.803°C at 760 mmHg (Cal.)
• Flash point: 196.199°C (Cal.)
• Refractive index: 1.635 (Cal.)