4-Acetyl-5,5-Dimethyl-4,5-Dihydro-3H-1,2,4-Triazol-3-One 1-Oxide
[CAS# 161958-00-5]

Identification

• Name: 4-Acetyl-5,5-Dimethyl-4,5-Dihydro-3H-1,2,4-Triazol-3-One 1-Oxide
• Synonyms: 4-acetyl-5,5-dimethyl-3-oxo-4,5-dihydro-3H-1,2,4-triazole 1-oxide
• Molecular Formula: C₆H₉N₃O₃
• Molecular Weight: 171.15
• CAS Registry Number: 161958-00-5
• SMILES: CC(=O)N1C(=O)N=[N+](C1(C)C)[O-]
• InChI: 1S/C6H9N3O3/c1-4(10)8-5(11)7-9(12)6(8,2)3/h1-3H3
• InChIKey: LGRLWVGCFVKFFZ-UHFFFAOYSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 247.666°C at 760 mmHg (Cal.)
• Flash point: 103.585°C (Cal.)
• Refractive index: 1.593 (Cal.)