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CAS 73713-69-6

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2,5-dimethyl-4-nitrobenzonitrile

Description:
2,5-Dimethyl-4-nitrobenzonitrile is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with two methyl groups, a nitro group, and a cyano group. The presence of the nitro group (-NO2) introduces significant polarity and can influence the compound's reactivity, making it a potential candidate for various chemical reactions, including electrophilic substitution. The cyano group (-C≡N) contributes to the compound's overall stability and can participate in nucleophilic reactions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in the synthesis of pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Additionally, the presence of multiple functional groups may impart unique properties, such as increased reactivity or specific interactions with biological systems. Safety data should be consulted, as nitro compounds can be hazardous, and appropriate handling and storage conditions are essential to mitigate risks associated with exposure.
Formula:C9H8N2O2
InChI:InChI=1/C9H8N2O2/c1-6-4-9(11(12)13)7(2)3-8(6)5-10/h3-4H,1-2H3
SMILES:Cc1cc(c(C)cc1C#N)N(=O)=O
Synonyms:
  • Benzonitrile, 2,5-Dimethyl-4-Nitro-
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