4-Hydroxysulfinpyrazone
[CAS# 28169-31-5]

Identification

• Name: 4-Hydroxysulfinpyrazone
• Synonyms: 1-(4-Hydroxyphenyl)-2-Phenyl-4-(2-Phenylsulfinylethyl)Pyrazolidine-3,5-Quinone; 3,5-Pyrazolidinedione, 4-(2-((4-Hydroxyphenyl)Sulfinyl)Ethyl)-1,2-Diphenyl-; 4-Hydroxysulfinpyrazone
• Molecular Formula: C₂₃H₂₀N₂O₄S
• Molecular Weight: 420.48
• CAS Registry Number: 28169-31-5
• SMILES: C1=CC(=CC=C1O)N3N(C(=O)C(CC[S](=O)C2=CC=CC=C2)C3=O)C4=CC=CC=C4
• InChI: 1S/C23H20N2O4S/c26-19-13-11-18(12-14-19)25-23(28)21(15-16-30(29)20-9-5-2-6-10-20)22(27)24(25)17-7-3-1-4-8-17/h1-14,21,26H,15-16H2
• InChIKey: NZGXIFCGKSHTGS-UHFFFAOYSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 651.335°C at 760 mmHg (Cal.)
• Flash point: 347.715°C (Cal.)