CAS 1227266-94-5

5-Cyano-2,3-difluorobenzoic acid

Description:

5-Cyano-2,3-difluorobenzoic acid is an aromatic carboxylic acid characterized by the presence of a cyano group (-CN) and two fluorine atoms attached to a benzene ring. The molecular structure features a carboxylic acid functional group (-COOH) that contributes to its acidic properties. The presence of the cyano group enhances its reactivity, making it useful in various synthetic applications, particularly in the field of pharmaceuticals and agrochemicals. The difluorination introduces significant electronegativity, which can influence the compound's polarity, solubility, and overall chemical behavior. This compound is typically utilized in organic synthesis and may serve as an intermediate in the production of more complex molecules. Its unique combination of functional groups allows for diverse reactivity patterns, making it a valuable building block in chemical research. Safety data and handling precautions should be observed, as with any chemical substance, to ensure safe laboratory practices.

Formula: C₈H₃F₂NO₂

InChI: InChI=1S/C8H3F2NO2/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-2H,(H,12,13)

InChI key: InChIKey=OQJOODYICGJDIE-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(F)C(F)=CC(C#N)=C1

Synonyms:

• Benzoic acid, 5-cyano-2,3-difluoro-
• 5-Cyano-2,3-difluorobenzoic acid