3-(2,3,5,6-Tetrafluoro-4-pyridinyl)propanoic acid
[CAS# 916792-08-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Fluoropyridine
• Name: 3-(2,3,5,6-Tetrafluoro-4-pyridinyl)propanoic acid
• Synonyms: 2,3,5,6-Tetrafluoropyridine-4-; propionic acid; 2,3,5,6-TETRAFLUOROPYRIDINE-4-PROPIONIC ACID; 3-(2,3,5,6-tetrafluoro-4-pyridyl)propanoic acid
• Molecular Formula: C₈H₅F₄NO₂
• Molecular Weight: 223.12
• CAS Registry Number: 916792-08-0
• SMILES: C(CC(=O)O)C1=C(C(=NC(=C1F)F)F)F
• InChI: 1S/C8H5F4NO2/c9-5-3(1-2-4(14)15)6(10)8(12)13-7(5)11/h1-2H2,(H,14,15)
• InChIKey: JMKYZXITFXJYBO-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 151-153°C (Expl.)
• Boiling point: 280.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 123.6±25.9°C (Cal.)
• Refractive index: 1.471 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin