3-[2-Oxo-5-(Trifluoromethyl)-1(2H)-Pyridinyl]Propanoic Acid
[CAS# 175277-72-2]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Dihydropyridine
• Name: 3-[2-Oxo-5-(Trifluoromethyl)-1(2H)-Pyridinyl]Propanoic Acid
• Synonyms: 1-(2-Cyanoethyl)-5-(trifluoromethyl)pyridin-2(1H)-one; 3-(2-Oxo-5-(trifluoromethyl)-2H-pyridin-1-yl)propionic acid; 3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
• Molecular Formula: C₉H₈F₃NO₃
• Molecular Weight: 235.16
• CAS Registry Number: 175277-72-2
• SMILES: FC(F)(F)C1=C/N(C(=O)/C=C1)CCC(=O)O
• InChI: 1S/C9H8F3NO3/c10-9(11,12)6-1-2-7(14)13(5-6)4-3-8(15)16/h1-2,5H,3-4H2,(H,15,16)
• InChIKey: UNNXVYFHRXGORP-UHFFFAOYSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Melting point: 106-108°C (Expl.)
• Boiling point: 362.808°C at 760 mmHg (Cal.)
• Flash point: 173.221°C (Cal.)
• Refractive index: 1.489 (Cal.)

Safety Data

• Safety Description: S22,S24/25,S36/37/39,S45