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CAS 1258298-05-3

:

2,6-Dichloro-4-cyanobenzoic acid

Description:
2,6-Dichloro-4-cyanobenzoic acid is an organic compound characterized by its aromatic structure, featuring a benzoic acid core substituted with two chlorine atoms and a cyano group. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. The dichloro substitutions at the 2 and 6 positions of the benzene ring enhance its reactivity and influence its physical properties, such as solubility and melting point. The cyano group, located at the 4 position, contributes to the compound's polarity and can engage in hydrogen bonding, affecting its interactions with other molecules. This compound is typically used in research and development, particularly in the synthesis of pharmaceuticals and agrochemicals. Its unique combination of functional groups makes it a valuable intermediate in organic synthesis. Safety data should be consulted, as halogenated compounds can exhibit toxicity and environmental persistence.
Formula:C8H3Cl2NO2
InChI:InChI=1S/C8H3Cl2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI key:InChIKey=RABGVNSIHQKYAS-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(Cl)C=C(C#N)C=C1Cl
Synonyms:
  • Benzoic acid, 2,6-dichloro-4-cyano-
  • 2,6-Dichloro-4-cyanobenzoic acid
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