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CAS 887266-96-8

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2-Cyano-6-fluorobenzoic acid

Description:
2-Cyano-6-fluorobenzoic acid is an aromatic compound characterized by the presence of a cyano group (-CN) and a fluorine atom attached to a benzoic acid structure. This compound features a carboxylic acid functional group (-COOH), which contributes to its acidic properties. The cyano group introduces a strong electron-withdrawing effect, enhancing the acidity of the carboxylic acid. The fluorine atom, being highly electronegative, can influence the compound's reactivity and polarity. 2-Cyano-6-fluorobenzoic acid is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group. It is often utilized in organic synthesis and pharmaceutical research, particularly in the development of biologically active compounds. The compound's unique functional groups make it a valuable intermediate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Safety precautions should be observed when handling this substance, as it may pose health risks if ingested or inhaled.
Formula:C8H4FNO2
InChI:InChI=1S/C8H4FNO2/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3H,(H,11,12)
InChI key:InChIKey=KBJBENDDHRHXIK-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C#N)C=CC=C1F
Synonyms:
  • Benzoic acid, 2-cyano-6-fluoro-
  • 2-Cyano-6-fluorobenzoic acid
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