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CAS 77326-46-6

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Methyl 2-cyano-3-nitrobenzoate

Description:
Methyl 2-cyano-3-nitrobenzoate, with the CAS number 77326-46-6, is an organic compound characterized by its functional groups, including a cyano group (-CN) and a nitro group (-NO2) attached to a benzoate structure. This compound typically appears as a yellow to orange solid or liquid, depending on its purity and specific conditions. It is known for its moderate solubility in organic solvents such as ethanol and acetone, while being less soluble in water. Methyl 2-cyano-3-nitrobenzoate is often utilized in synthetic organic chemistry as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the electron-withdrawing nature of the nitro and cyano groups, making it a valuable building block in the synthesis of more complex molecules. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate protective equipment should be used.
Formula:C9H6N2O4
InChI:InChI=1S/C9H6N2O4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,1H3
InChI key:InChIKey=IKKNSRWBYKCBBC-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C(OC)=O)C=CC=C1N(=O)=O
Synonyms:
  • Methyl 2-cyano-3-nitrobenzoate
  • 2-Carbomethoxy-6-nitrobenzonitrile
  • Benzoic acid, 2-cyano-3-nitro-, methyl ester
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