2,4-Diacetyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 131426-05-6]

Identification

• Name: 2,4-Diacetyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 1,1'-(5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)diethanone
• Molecular Formula: C₆H₇N₃O₃
• Molecular Weight: 169.14
• CAS Registry Number: 131426-05-6
• SMILES: CC(=O)n1cnn(c1=O)C(=O)C
• InChI: 1S/C6H7N3O3/c1-4(10)8-3-7-9(5(2)11)6(8)12/h3H,1-2H3
• InChIKey: OYOIIBZSVCHGIL-UHFFFAOYSA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Boiling point: 246.592°C at 760 mmHg (Cal.)
• Flash point: 102.935°C (Cal.)
• Refractive index: 1.614 (Cal.)

References

• (1): R. Crockett, A. R. Forrester and R. A. Howie. 1,4-Diacetyl-1,2,4-triazolin-5-one, Acta Cryst. (2004). E60, o460-o461