1,2-Diacetyl-4-Phenyl-1,2,4-Triazolidine-3,5-Dione
[CAS# 6598-47-6]

Identification

• Name: 1,2-Diacetyl-4-Phenyl-1,2,4-Triazolidine-3,5-Dione
• Synonyms: 1,2-Diacetyl-4-Phenyl-Urazole; 1,2-Diethanoyl-4-Phenyl-1,2,4-Triazolidine-3,5-Dione; 1,2-Daptazd
• Molecular Formula: C₁₂H₁₁N₃O₄
• Molecular Weight: 261.24
• CAS Registry Number: 6598-47-6
• SMILES: C2=C(N1C(=O)N(N(C1=O)C(=O)C)C(=O)C)C=CC=C2
• InChI: 1S/C12H11N3O4/c1-8(16)14-11(18)13(10-6-4-3-5-7-10)12(19)15(14)9(2)17/h3-7H,1-2H3
• InChIKey: YKXZRJHUOJBUOL-UHFFFAOYSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 368.478°C at 760 mmHg (Cal.)
• Flash point: 161.196°C (Cal.)

References

• (1): P. Singh and R. A. Izydore. 1,2-Diacetyl-4-phenyl-1,2,4-triazolidine-3,5-dione, Acta Cryst. (1996). C52, 1817-1820