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CAS 50712-63-5

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α-Methyl-4-nitrobenzeneacetonitrile

Description:
α-Methyl-4-nitrobenzeneacetonitrile, with the CAS number 50712-63-5, is an organic compound characterized by its aromatic structure and the presence of both a nitro group and a nitrile functional group. This compound typically appears as a solid or liquid, depending on the specific conditions, and is known for its moderate solubility in organic solvents. The nitro group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and reductions. Its methyl group enhances the electron-donating properties of the aromatic ring, influencing its chemical behavior. α-Methyl-4-nitrobenzeneacetonitrile may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. Safety considerations are important when handling this compound, as it may pose health risks, including toxicity and environmental hazards. Proper storage and handling protocols should be followed to mitigate these risks. Overall, this compound exemplifies the diverse functionalities that can be achieved through the combination of nitro and nitrile groups in organic synthesis.
Formula:C9H8N2O2
InChI:InChI=1S/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3
InChI key:InChIKey=QCPKTMACPAKCKW-UHFFFAOYSA-N
SMILES:C(C#N)(C)C1=CC=C(N(=O)=O)C=C1
Synonyms:
  • 2-(4-Nitrophenyl)Propanenitrile
  • 2-(4-Nitrophenyl)propionitrile
  • Benzeneacetonitrile, α-methyl-4-nitro-
  • α-Methyl-4-nitrobenzeneacetonitrile
  • 2-(4-Nitrophenyl)propiononitrile
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