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CAS 1258298-29-1

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2-Chloro-4-cyano-6-fluorobenzoic acid

Description:
2-Chloro-4-cyano-6-fluorobenzoic acid is an aromatic compound characterized by the presence of a benzoic acid moiety substituted with a chlorine atom, a cyano group, and a fluorine atom at specific positions on the benzene ring. The chlorine atom is located at the 2-position, the cyano group at the 4-position, and the fluorine at the 6-position, contributing to its unique reactivity and properties. This compound is typically a solid at room temperature and is soluble in organic solvents, reflecting its polar functional groups. It exhibits acidic properties due to the carboxylic acid group, which can participate in hydrogen bonding and affect its solubility and reactivity. The presence of both electron-withdrawing groups (the cyano and chloro) and an electron-donating group (the carboxylic acid) influences its electronic properties, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Its specific applications may vary, but it is often explored in pharmaceutical and agrochemical research due to its structural characteristics.
Formula:C8H3ClFNO2
InChI:InChI=1S/C8H3ClFNO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI key:InChIKey=WWFWDVYYRPLSKP-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(Cl)C=C(C#N)C=C1F
Synonyms:
  • Benzoic acid, 2-chloro-4-cyano-6-fluoro-
  • 2-Chloro-4-cyano-6-fluorobenzoic acid
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