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CAS 1032231-28-9

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5-Bromo-2-cyanobenzoic acid

Description:
5-Bromo-2-cyanobenzoic acid is an organic compound characterized by its aromatic structure, which includes a bromine atom and a cyano group attached to a benzoic acid framework. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and solubility. The cyano group (-CN) is a strong electron-withdrawing group, enhancing the acidity of the carboxylic acid functional group (-COOH) and potentially affecting the compound's overall polarity. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties include moderate solubility in polar solvents and potential applications in various chemical reactions, such as nucleophilic substitutions or coupling reactions. Safety data should be consulted, as halogenated compounds can pose health risks, and appropriate handling procedures should be followed. Overall, 5-Bromo-2-cyanobenzoic acid is a valuable compound in synthetic organic chemistry due to its functional groups and structural characteristics.
Formula:C8H4BrNO2
InChI:InChI=1S/C8H4BrNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3H,(H,11,12)
InChI key:InChIKey=HELBBGLIOALLAF-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C#N)C=CC(Br)=C1
Synonyms:
  • 5-Bromo-2-cyanobenzoic acid
  • 4-Bromo-2-carboxybenzonitrile
  • Benzoic acid, 5-bromo-2-cyano-
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