1,2-Diphenyl-4-Propylidene-3,5-Pyrazolidinedione
[CAS# 2810-68-6]

Identification

• Name: 1,2-Diphenyl-4-Propylidene-3,5-Pyrazolidinedione
• Synonyms: 1,2-Diphenyl-4-propylidene-3,5-pyrazolidinedione #
• Molecular Formula: C₁₈H₁₆N₂O₂
• Molecular Weight: 292.33
• CAS Registry Number: 2810-68-6
• SMILES: O=C3/C(C(=O)N(c1ccccc1)N3c2ccccc2)=C\CC
• InChI: 1S/C18H16N2O2/c1-2-9-16-17(21)19(14-10-5-3-6-11-14)20(18(16)22)15-12-7-4-8-13-15/h3-13H,2H2,1H3
• InChIKey: UORSDKIDYPKOBA-UHFFFAOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 419.007°C at 760 mmHg (Cal.)
• Flash point: 177.841°C (Cal.)
• Refractive index: 1.683 (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