2-Benzyl-4-Oxo-5,5,5,-Trifluoropentanoic Acid
[CAS# 96056-51-8]

Identification

• Name: 2-Benzyl-4-Oxo-5,5,5,-Trifluoropentanoic Acid
• Synonyms: 2-(Benzyl)-5,5,5-Trifluoro-4-Keto-Valeric Acid; Botfp; 2-Benzyl-4-Oxo-5,5,5,-Trifluoropentanoic Acid
• Molecular Formula: C₁₂H₁₁F₃O₃
• Molecular Weight: 260.21
• CAS Registry Number: 96056-51-8
• SMILES: C1=C(CC(CC(C(F)(F)F)=O)C(=O)O)C=CC=C1
• InChI: 1S/C12H11F3O3/c13-12(14,15)10(16)7-9(11(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,18)
• InChIKey: YFBZRNCKPGDTBO-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 348.254°C at 760 mmHg (Cal.)
• Flash point: 164.418°C (Cal.)