4-Isopropylidene-1,2-Diphenyl-3,5-Pyrazolidinedione
[CAS# 26485-81-4]

Identification

• Name: 4-Isopropylidene-1,2-Diphenyl-3,5-Pyrazolidinedione
• Synonyms: 4-Isopropylidene-1,2-Di(Phenyl)Pyrazolidine-3,5-Dione; 4-Isopropylidene-1,2-Di(Phenyl)Pyrazolidine-3,5-Quinone; 1,2-Di(Phenyl)-4-Propan-2-Ylidene-Pyrazolidine-3,5-Dione
• Molecular Formula: C₁₈H₁₆N₂O₂
• Molecular Weight: 292.34
• CAS Registry Number: 26485-81-4
• SMILES: C3=C(N2N(C1=CC=CC=C1)C(=O)C(C2=O)=C(C)C)C=CC=C3
• InChI: 1S/C18H16N2O2/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/h3-12H,1-2H3
• InChIKey: PDPQOBMGUDTPIR-UHFFFAOYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 414.696°C at 760 mmHg (Cal.)
• Flash point: 174.91°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