3-Isopropyl-5-Methyl-4H-Pyrazol-4-One 1,2-Dioxide
[CAS# 221006-46-8]

Identification

• Name: 3-Isopropyl-5-Methyl-4H-Pyrazol-4-One 1,2-Dioxide
• Synonyms: 3-isopropyl-5-methyl-4-oxo-4H-pyrazole 1,2-dioxide
• Molecular Formula: C₇H₁₀N₂O₃
• Molecular Weight: 170.17
• CAS Registry Number: 221006-46-8
• SMILES: CC1=[N+]([N+](=C(C1=O)C(C)C)[O-])[O-]
• InChI: 1S/C7H10N2O3/c1-4(2)6-7(10)5(3)8(11)9(6)12/h4H,1-3H3
• InChIKey: IJXKUNMXECUYTO-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 305.308°C at 760 mmHg (Cal.)
• Flash point: 149.576°C (Cal.)
• Refractive index: 1.529 (Cal.)