5-Methyl-2-Phenyl-4-(Trifluoroacetyl)-2,4-Dihydro-3H-Pyrazol-3-One
[CAS# 1691-93-6]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: 5-Methyl-2-Phenyl-4-(Trifluoroacetyl)-2,4-Dihydro-3H-Pyrazol-3-One
• Synonyms: 3-methyl-1-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-5(4H)-one; 3-methyl-1-phenyl-4-(2,2,2-trifluoroacetyl)-2-pyrazolin-5-one; 3-Methyl-1-phenyl-4-trifluoroacetyl-2-pyrazolin-5-one
• Molecular Formula: C₁₂H₉F₃N₂O₂
• Molecular Weight: 270.21
• CAS Registry Number: 1691-93-6
• SMILES: FC(F)(F)C(=O)C2\C(=N/N(c1ccccc1)C2=O)C
• InChI: 1S/C12H9F3N2O2/c1-7-9(10(18)12(13,14)15)11(19)17(16-7)8-5-3-2-4-6-8/h2-6,9H,1H3
• InChIKey: VXIIAPOORVGKBU-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Melting point: 147°C (Expl.)
• Boiling point: 377.43°C at 760 mmHg (Cal.)
• Flash point: 182.063°C (Cal.)
• Refractive index: 1.552 (Cal.)