2-Oxo-3-[4-(Trifluoromethyl)Phenyl]Propanoic Acid
[CAS# 120658-71-1]

Identification

• Name: 2-Oxo-3-[4-(Trifluoromethyl)Phenyl]Propanoic Acid
• Synonyms: 3-(4-Trifluoromethylphenyl)-2-oxopropionic acid; Benzenepropanoic acid, α-oxo-4-(trifluoromethyl)-
• Molecular Formula: C₁₀H₇F₃O₃
• Molecular Weight: 232.16
• CAS Registry Number: 120658-71-1
• SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)C(F)(F)F
• InChI: 1S/C10H7F3O3/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4H,5H2,(H,15,16)
• InChIKey: WKPBMQOVUPFRHQ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 301.9±42.0°C at 760 mmHg (Cal.)
• Flash point: 136.4±27.9°C (Cal.)
• Refractive index: 1.485 (Cal.)

References

• (1): Patricia Busca, Francesca Paradisi, Eamonn Moynihan, Anita R. Maguire and Paul C. Engel. Enantioselective synthesis of non-natural amino acids using phenylalanine dehydrogenases modified by site-directed mutagenesis, Org. Biomol. Chem., 2004, 2, 2684.