5-Oxo-5-[3-(Trifluoromethyl)Phenyl]Pentanoic Acid
[CAS# 502650-98-8]

Identification

• Name: 5-Oxo-5-[3-(Trifluoromethyl)Phenyl]Pentanoic Acid
• Synonyms: 5-Oxo-5-(3-trifluoromethylphenyl)valeric acid; MFCD02260917
• Molecular Formula: C₁₂H₁₁F₃O₃
• Molecular Weight: 260.21
• CAS Registry Number: 502650-98-8
• SMILES: FC(F)(F)c1cc(ccc1)C(=O)CCCC(O)=O
• InChI: 1S/C12H11F3O3/c13-12(14,15)9-4-1-3-8(7-9)10(16)5-2-6-11(17)18/h1,3-4,7H,2,5-6H2,(H,17,18)
• InChIKey: MGVZZUNNBDSHQQ-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 363.847°C at 760 mmHg (Cal.)
• Flash point: 173.849°C (Cal.)
• Refractive index: 1.483 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE