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CAS 1885-77-4

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3-Methyl-2-nitrobenzonitrile

Description:
3-Methyl-2-nitrobenzonitrile, with the CAS number 1885-77-4, is an organic compound that belongs to the class of nitrobenzonitriles. It features a benzene ring substituted with a methyl group and a nitro group, as well as a cyano group, which contributes to its chemical properties. This compound is typically characterized by its solid state at room temperature and exhibits a pale yellow to light brown appearance. It is known for its moderate solubility in organic solvents, such as ethanol and acetone, while being less soluble in water. The presence of the nitro group imparts significant polarity, influencing its reactivity and interactions with other chemical species. 3-Methyl-2-nitrobenzonitrile can participate in various chemical reactions, including nucleophilic substitutions and reductions, making it useful in synthetic organic chemistry. Additionally, it may exhibit biological activity, which warrants careful handling due to potential toxicity. As with many nitro compounds, it is important to consider safety and environmental regulations when working with this substance.
Formula:C8H6N2O2
InChI:InChI=1S/C8H6N2O2/c1-6-3-2-4-7(5-9)8(6)10(11)12/h2-4H,1H3
InChI key:InChIKey=MIDHYAOVUFWYPU-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C#N)C=CC=C1C
Synonyms:
  • 3-Methyl-2-nitrobenzonitrile
  • Benzonitrile, 3-methyl-2-nitro-
  • m-Tolunitrile, 2-nitro-
  • 3-METHYL-2-NITRO-BENZONITRILE
  • 3-Methyl-2-nitro-benzonitrile3-cyano-2-nitrotoluene
  • 3-CYANO-2-NITROTOLUENE
  • 2-Cyano-6-methylnitrobenzene
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