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CAS 1223434-16-9

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4-Bromo-2-cyanobenzoic acid

Description:
4-Bromo-2-cyanobenzoic acid is an organic compound characterized by the presence of a bromine atom and a cyano group attached to a benzoic acid structure. It features a carboxylic acid functional group (-COOH), which imparts acidic properties, and the cyano group (-CN) contributes to its reactivity and potential applications in organic synthesis. The bromine substituent enhances the compound's electrophilicity, making it useful in various chemical reactions, including nucleophilic substitutions. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group. Its molecular structure allows for potential applications in pharmaceuticals, agrochemicals, and materials science. Additionally, the presence of both electron-withdrawing groups (bromine and cyano) can influence its electronic properties, making it a candidate for further studies in medicinal chemistry and materials development. Safety precautions should be taken when handling this compound, as it may pose health risks typical of halogenated and nitrile compounds.
Formula:C8H4BrNO2
InChI:InChI=1S/C8H4BrNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,(H,11,12)
InChI key:InChIKey=NZMVUDLKRUPTEC-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C(O)=O)C=CC(Br)=C1
Synonyms:
  • 4-Bromo-2-cyanobenzoic acid
  • Benzoic acid, 4-bromo-2-cyano-
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