4-Acetyl-1,2-Diphenyl-Pyrazolidine-3,5-Dione
[CAS# 6139-79-3]

Identification

• Name: 4-Acetyl-1,2-Diphenyl-Pyrazolidine-3,5-Dione
• Synonyms: 4-acetyl-1,2-diphenyl-pyrazolidine-3,5-dione
• Molecular Formula: C₁₇H₁₄N₂O₃
• Molecular Weight: 294.30
• CAS Registry Number: 6139-79-3
• SMILES: CC(=O)C1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
• InChI: 1S/C17H14N2O3/c1-12(20)15-16(21)18(13-8-4-2-5-9-13)19(17(15)22)14-10-6-3-7-11-14/h2-11,15H,1H3
• InChIKey: LLHMCBYVLRDULX-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 440.672°C at 760 mmHg (Cal.)
• Flash point: 195.931°C (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
• (2): Mondelli R, Merlini L. Sulla 1,2-difenil-3,5-dichetopirazolidina. Nota VIII. Tautomeria e spettri di risonanza magnetica nucleare di alcuni derivati., Gazzetta Chimica Italiana, 1965, 95, 1371-1377