5-Oxo-5-(3,4,5-trifluorophenyl)pentanoic acid
[CAS# 898765-89-4]

Identification

• Name: 5-Oxo-5-(3,4,5-trifluorophenyl)pentanoic acid
• Synonyms: 5-Oxo-5-(3,4,5-trifluorophenyl)valeric acid
• Molecular Formula: C₁₁H₉F₃O₃
• Molecular Weight: 246.18
• CAS Registry Number: 898765-89-4
• SMILES: Fc1cc(cc(F)c1F)C(=O)CCCC(O)=O
• InChI: 1S/C11H9F3O3/c12-7-4-6(5-8(13)11(7)14)9(15)2-1-3-10(16)17/h4-5H,1-3H2,(H,16,17)
• InChIKey: RSXJLAGQPSJXFY-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 401.697°C at 760 mmHg (Cal.)
• Flash point: 196.739°C (Cal.)
• Refractive index: 1.493 (Cal.)