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CAS 327056-71-3

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3-Chloro-5-cyanobenzoic acid

Description:
3-Chloro-5-cyanobenzoic acid is an aromatic compound characterized by the presence of a benzoic acid structure substituted with a chlorine atom and a cyano group. The chlorine atom is located at the meta position (3-position) relative to the carboxylic acid group, while the cyano group is situated at the para position (5-position). This compound typically appears as a solid at room temperature and is known for its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. It exhibits properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many aromatic compounds. The presence of both the cyano and carboxylic acid functional groups contributes to its reactivity, allowing for various chemical transformations. Additionally, 3-Chloro-5-cyanobenzoic acid may exhibit biological activity, making it of interest in medicinal chemistry. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C8H4ClNO2
InChI:InChI=1S/C8H4ClNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)
InChI key:InChIKey=CAZBPYYWJAVBMY-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(C#N)=CC(Cl)=C1
Synonyms:
  • 3-Chloro-5-cyanobenzoic acid
  • Benzoic acid, 3-chloro-5-cyano-
  • 3-CHLORO-5-CYANO-BENZOIC ACID
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