4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-Pyrazolidinedione monohydrate
[CAS# 7081-38-1]

Identification

• Name: 4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-Pyrazolidinedione monohydrate
• Synonyms: 4-Butyl-1-(4-Hydroxyphenyl)-2-Phenyl-Pyrazolidine-3,5-Dione Hydrate; 4-Butyl-1-(4-Hydroxyphenyl)-2-Phenyl-Pyrazolidine-3,5-Quinone Hydrate; 4-Butyl-1-(P-Hydroxyphenyl)-2-Phenyl-3,5-Pyrazolidinedione Monohydrate
• Molecular Formula: C₁₉H₂₂N₂O₄
• Molecular Weight: 342.39
• CAS Registry Number: 7081-38-1
• SMILES: C1=CC(=CC=C1O)N2N(C(=O)C(CCCC)C2=O)C3=CC=CC=C3.O
• InChI: 1S/C19H20N2O3.H2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;/h4-8,10-13,17,22H,2-3,9H2,1H3;1H2
• InChIKey: CNDQSXOVEQXJOE-UHFFFAOYSA-N

Properties

• Boiling point: 485.6°C at 760 mmHg (Cal.)
• Flash point: 247.5°C (Cal.)