4-Isopropyl-1,2-Diphenyl-3,5-Pyrazolidinedione
[CAS# 1093-68-1]

Identification

• Name: 4-Isopropyl-1,2-Diphenyl-3,5-Pyrazolidinedione
• Synonyms: 4-Isopropyl-1,2-diphenyl-3,5-pyrazolidinedione #; UQ8520000
• Molecular Formula: C₁₈H₁₈N₂O₂
• Molecular Weight: 294.35
• CAS Registry Number: 1093-68-1
• SMILES: O=C2N(c1ccccc1)N(C(=O)C2C(C)C)c3ccccc3
• InChI: 1S/C18H18N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-13,16H,1-2H3
• InChIKey: YCVWEUCCAOLSFZ-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 406.227°C at 760 mmHg (Cal.)
• Flash point: 167.395°C (Cal.)
• Refractive index: 1.604 (Cal.)

References

• (1): Selva A, Citterio A, Merlini L. Mass Spectrometry of Heterocyclic compounds. VIII. Electron-impact-induced fragmentation of 1,2-diphenyl-pyrazolidine-3,5-dione and some 4-substituted derivatives, Organic Mass Spectrometry 1975, 10, 606-616