1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3-butanedione
[CAS# 87100-61-6]

Identification

• Name: 1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3-butanedione
• Synonyms: 1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3-butanedione #; 1-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)butane-1,3-dione
• Molecular Formula: C₁₄H₁₄N₂O₃
• Molecular Weight: 258.27
• CAS Registry Number: 87100-61-6
• SMILES: CC(=O)CC(=O)c2c(C)nn(c1ccccc1)c2O
• InChI: 1S/C14H14N2O3/c1-9(17)8-12(18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7,19H,8H2,1-2H3
• InChIKey: BJYCSAJMDYEUTR-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 420.606°C at 760 mmHg (Cal.)
• Flash point: 208.176°C (Cal.)