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CAS 16213-85-7

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2,5-Dimethylphenylacetonitrile

Description:
2,5-Dimethylphenylacetonitrile, with the CAS number 16213-85-7, is an organic compound characterized by its structure, which includes a phenyl group substituted with two methyl groups at the 2 and 5 positions, and an acetonitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate polarity due to the presence of the nitrile group, which can engage in hydrogen bonding and dipole interactions. 2,5-Dimethylphenylacetonitrile is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its chemical properties include stability under standard conditions, but it may undergo reactions typical of nitriles, such as hydrolysis or nucleophilic addition. Safety data indicates that, like many nitriles, it should be handled with care due to potential toxicity and irritant effects. Proper storage and handling protocols are essential to ensure safety in laboratory or industrial settings.
Formula:C10H11N
InChI:InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
InChI key:InChIKey=HCELORQTHSKCQL-UHFFFAOYSA-N
SMILES:C(C#N)C1=C(C)C=CC(C)=C1
Synonyms:
  • (2,5-Xylyl)-Acetonitril
  • (2,5-Xylyl)Acetonitrile
  • 2,5-Dimethylbenzeneacetonitrile
  • 2,5-Dimethylbenzyl cyanide
  • 2,5-Dimethylbenzylcyanide
  • 2,5-Xylylacetonitrile
  • 2-(2,5-Dimethylphenyl)acetonitrile
  • Acetonitrile, (2,5-xylyl)-
  • Benzeneacetonitrile, 2,5-dimethyl-
  • NSC 85352
  • See more synonyms
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