4-Allyl-2-Methyl-1,2,4-Triazol-3-One
[CAS# 535961-36-5]

Identification

• Name: 4-Allyl-2-Methyl-1,2,4-Triazol-3-One
• Synonyms: 4-allyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
• Molecular Formula: C₆H₉N₃O
• Molecular Weight: 139.16
• CAS Registry Number: 535961-36-5
• SMILES: O=C1N(CC=C)/C=N\N1C
• InChI: 1S/C6H9N3O/c1-3-4-9-5-7-8(2)6(9)10/h3,5H,1,4H2,2H3
• InChIKey: ZWAWJMWBPRLORM-UHFFFAOYSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 173.122°C at 760 mmHg (Cal.)
• Flash point: 58.503°C (Cal.)
• Refractive index: 1.552 (Cal.)