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CAS 6575-13-9

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2,6-Dimethylbenzonitrile

Description:
2,6-Dimethylbenzonitrile, with the CAS number 6575-13-9, is an aromatic nitrile compound characterized by a benzene ring substituted with two methyl groups at the 2 and 6 positions and a cyano group (-C≡N) at the 1 position. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature. It has a relatively low solubility in water but is soluble in organic solvents such as ethanol and acetone. The presence of the cyano group imparts notable chemical reactivity, making it useful in various organic synthesis applications, including the production of pharmaceuticals and agrochemicals. 2,6-Dimethylbenzonitrile exhibits moderate toxicity, and appropriate safety measures should be taken when handling it. Its molecular structure contributes to its unique physical and chemical properties, including its boiling point, melting point, and density, which are influenced by the presence of the methyl groups and the nitrile functional group. Overall, this compound is significant in both industrial and research contexts.
Formula:C9H9N
InChI:InChI=1/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChI key:InChIKey=QSACPWSIIRFHHR-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)C=CC=C1C
Synonyms:
  • 2,6-Dimethylbenzoniitrile
  • 2-Cyano-1,3-dimethylbenzene
  • Benzonitrile, 2,6-dimethyl-
  • NSC 98304
  • 2,6-Dimethylbenzonitrile
  • 2-CYANO-M-XYLENE
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