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CAS 1260763-08-3

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Methyl 3-(cyanomethyl)-4-nitrobenzoate

Description:
Methyl 3-(cyanomethyl)-4-nitrobenzoate is an organic compound characterized by its functional groups, including a nitro group, a cyanomethyl group, and an ester group. It features a benzoate structure, where the methyl ester is attached to a benzene ring that has a nitro substituent at the para position and a cyanomethyl group at the meta position. This compound is typically a crystalline solid and may exhibit moderate solubility in organic solvents due to its polar functional groups. The presence of the nitro group contributes to its potential reactivity, making it a candidate for various chemical transformations. Additionally, the cyanomethyl group can participate in nucleophilic reactions, enhancing its utility in synthetic organic chemistry. Methyl 3-(cyanomethyl)-4-nitrobenzoate may also possess biological activity, which could be of interest in pharmaceutical research. As with many nitro compounds, it is important to handle this substance with care due to potential toxicity and environmental considerations.
Formula:C10H8N2O4
InChI:InChI=1S/C10H8N2O4/c1-16-10(13)8-2-3-9(12(14)15)7(6-8)4-5-11/h2-3,6H,4H2,1H3
InChI key:InChIKey=MYIIJYVEDDBECQ-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(CC#N)C=C(C(OC)=O)C=C1
Synonyms:
  • Methyl 3-(cyanomethyl)-4-nitrobenzoate
  • Benzoic acid, 3-(cyanomethyl)-4-nitro-, methyl ester
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