2-Benzyl-4-Ethyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 535961-34-3]

Identification

• Name: 2-Benzyl-4-Ethyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 1-benzyl-4-ethyl-1H-1,2,4-triazol-5(4H)-one
• Molecular Formula: C₁₁H₁₃N₃O
• Molecular Weight: 203.24
• CAS Registry Number: 535961-34-3
• SMILES: CCn1cnn(c1=O)Cc2ccccc2
• InChI: 1S/C11H13N3O/c1-2-13-9-12-14(11(13)15)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
• InChIKey: JYRZIJFWEZKDEH-UHFFFAOYSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 302.703°C at 760 mmHg (Cal.)
• Flash point: 136.87°C (Cal.)
• Refractive index: 1.597 (Cal.)