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CAS 26830-95-5

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4-Methyl-2-nitrobenzonitrile

Description:
4-Methyl-2-nitrobenzonitrile, with the CAS number 26830-95-5, is an organic compound characterized by a benzene ring substituted with a methyl group, a nitro group, and a nitrile group. Its molecular structure features a nitro group (-NO2) positioned at the 2-position and a nitrile group (-C≡N) at the 1-position of the benzene ring, along with a methyl group (-CH3) at the 4-position. This compound typically appears as a solid at room temperature and is known for its aromatic properties. It is often used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. The presence of both the nitro and nitrile functional groups contributes to its reactivity, making it a valuable compound in chemical reactions such as nucleophilic substitutions. Safety precautions should be observed when handling this compound, as nitro compounds can be hazardous. Overall, 4-Methyl-2-nitrobenzonitrile is a significant compound in synthetic organic chemistry.
Formula:C8H6N2O2
InChI:InChI=1/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
InChI key:InChIKey=QGBSLPHQCUIZKK-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C#N)C=CC(C)=C1
Synonyms:
  • 2-Nitro-4-toluonitrile
  • 4-Cyano-3-nitrotoluene
  • Ai3-16689
  • Benzonitrile, 4-methyl-2-nitro-
  • NSC 60828
  • p-Tolunitrile, 2-nitro-
  • 4-Methyl-2-nitrobenzonitrile
  • 2-NITRO-P-TOLUONITRILE
  • 2-NITRO-P-TOLUNITRILE
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