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CAS 153775-42-9

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4-cyano-3-nitrobenzoic acid

Description:
4-Cyano-3-nitrobenzoic acid is an aromatic compound characterized by the presence of both a cyano group (-CN) and a nitro group (-NO2) attached to a benzoic acid framework. This compound features a carboxylic acid functional group (-COOH) that contributes to its acidic properties. The cyano group introduces a strong electron-withdrawing effect, enhancing the compound's reactivity, while the nitro group further increases the acidity and can influence the compound's electronic properties. Typically, 4-cyano-3-nitrobenzoic acid is a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group. Its unique structure makes it useful in various applications, including organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, the compound's reactivity can be exploited in coupling reactions and other transformations in synthetic organic chemistry. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C8H4N2O4
InChI:InChI=1S/C8H4N2O4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,(H,11,12)
InChI key:JVPRJKPSKHSUDO-UHFFFAOYSA-N
SMILES:C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C#N
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