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CAS 181073-82-5

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4-cyano-2,6-difluorobenzoic acid

Description:
4-Cyano-2,6-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 benzoic acid moiety, which contributes to its acidic properties, while the cyano group enhances its reactivity and potential for forming hydrogen bonds. The difluorination at the 2 and 6 positions of the benzene ring introduces significant electronegativity, influencing the compound's polarity and solubility in various solvents. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its unique functional groups allow for diverse chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the presence of the cyano group can impart specific electronic properties, making it useful in materials science and as a building block in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C8H3F2NO2
InChI:InChI=1/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
SMILES:c1c(cc(c(c1F)C(=O)O)F)C#N
Synonyms:
  • Benzoic Acid, 4-Cyano-2,6-Difluoro-
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