CAS 926214-74-6

3-(2-Chloro-4-fluorophenoxy)propanoic acid

Description:

3-(2-Chloro-4-fluorophenoxy)propanoic acid is an organic compound characterized by its unique structure, which includes a propanoic acid moiety linked to a phenoxy group that contains both chlorine and fluorine substituents. The presence of the chloro and fluoro groups on the aromatic ring enhances the compound's lipophilicity and may influence its biological activity. This compound is typically a white to off-white solid at room temperature and is soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the phenoxy group. It is often used in pharmaceutical research and development, particularly in the synthesis of herbicides or other agrochemicals, due to its potential activity against specific biological targets. The compound's reactivity can be attributed to the carboxylic acid functional group, which can participate in various chemical reactions, including esterification and amidation. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks.

Formula: C₉H₈ClFO₃

InChI: InChI=1S/C9H8ClFO3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)

InChI key: InChIKey=XNBUXUDYENDIRW-UHFFFAOYSA-N

SMILES: O(CCC(O)=O)C1=C(Cl)C=C(F)C=C1

Synonyms:

• Propanoic acid, 3-(2-chloro-4-fluorophenoxy)-
• 3-(2-Chloro-4-fluorophenoxy)propanoic acid