5-Methyl-4-Phenyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 1010-54-4]

Identification

• Name: 5-Methyl-4-Phenyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazol-3-one; 3-methyl-4-phenyl-1,2,4-triazolin-5-one; 3-methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
• Molecular Formula: C₉H₉N₃O
• Molecular Weight: 175.19
• CAS Registry Number: 1010-54-4
• SMILES: O=C2N(c1ccccc1)\C(=N/N2)C
• InChI: 1S/C9H9N3O/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)
• InChIKey: CCPJMTJIFZSNOH-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Melting point: 153-154°C (Expl.)
• Boiling point: 409.1°C at 760 mmHg (Cal.)
• Flash point: 201.2°C (Cal.)
• Refractive index: 1.645 (Cal.)

Safety Data

• Safety Description: IRRITANT