4-Butyl-4-Methyl-1,2-Diphenyl-3,5-Pyrazolidinedione
[CAS# 26598-82-3]

Identification

• Name: 4-Butyl-4-Methyl-1,2-Diphenyl-3,5-Pyrazolidinedione
• Molecular Formula: C₂₀H₂₂N₂O₂
• Molecular Weight: 322.40
• CAS Registry Number: 26598-82-3
• SMILES: O=C2N(c1ccccc1)N(C(=O)C2(C)CCCC)c3ccccc3
• InChI: 1S/C20H22N2O2/c1-3-4-15-20(2)18(23)21(16-11-7-5-8-12-16)22(19(20)24)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
• InChIKey: QBXQDSFAILUQAX-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 427.204°C at 760 mmHg (Cal.)
• Flash point: 170.147°C (Cal.)
• Refractive index: 1.577 (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