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CAS 99066-80-5

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methyl 3-cyano-5-nitrobenzoate

Description:
Methyl 3-cyano-5-nitrobenzoate, with the CAS number 99066-80-5, is an organic compound characterized by its aromatic structure and functional groups. It features a benzoate moiety with a cyano group (-CN) and a nitro group (-NO2) positioned on the aromatic ring, which contributes to its reactivity and potential applications in organic synthesis. The presence of the methyl ester group enhances its solubility in organic solvents, making it useful in various chemical reactions. This compound is typically a yellow to orange solid and is known for its potential use in the synthesis of pharmaceuticals and agrochemicals due to the reactivity of the cyano and nitro groups. Additionally, it may exhibit biological activity, although specific biological properties would require further investigation. Safety data should be consulted, as compounds containing nitro and cyano groups can pose health risks and environmental concerns. Overall, methyl 3-cyano-5-nitrobenzoate is a versatile compound in synthetic organic chemistry.
Formula:C9H6N2O4
InChI:InChI=1/C9H6N2O4/c1-15-9(12)7-2-6(5-10)3-8(4-7)11(13)14/h2-4H,1H3
InChI key:ZMVKXPKHCOWFDJ-UHFFFAOYSA-N
SMILES:COC(=O)c1cc(cc(c1)N(=O)=O)C#N
Synonyms:
  • Benzoic acid, 3-cyano-5-nitro-, methyl ester
  • 3-Cyano-5-Nitro-Benzoic Acid Methyl Ester
  • Methyl 3-cyano-5-nitrobenzoate
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