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CAS 84803-57-6

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4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile

Description:
4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile, also known by its CAS number 84803-57-6, is an organic compound characterized by its aromatic structure and the presence of a nitrile functional group. This compound features a benzene ring substituted with two methyl groups and a tert-butyl group, contributing to its hydrophobic nature and potential steric hindrance. The nitrile group (-C≡N) is known for its polar characteristics, which can influence the compound's reactivity and solubility in various solvents. Typically, compounds like this may exhibit moderate volatility and can be used in organic synthesis or as intermediates in the production of pharmaceuticals and agrochemicals. Its physical properties, such as boiling point and melting point, would depend on the specific molecular interactions and the presence of substituents. Safety data should be consulted for handling and storage, as nitriles can pose health risks if inhaled or ingested. Overall, this compound exemplifies the complexity of organic molecules with multiple functional groups and substituents.
Formula:C14H19N
InChI:InChI=1S/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3
InChI key:InChIKey=ZUXNULGHCOXCFL-UHFFFAOYSA-N
SMILES:C(C#N)C1=C(C)C=C(C(C)(C)C)C=C1C
Synonyms:
  • 4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile
  • Benzeneacetonitrile, 4-(1,1-dimethylethyl)-2,6-dimethyl-
  • (4-tert-Butyl-2,6-dimethylphenyl)acetonitrile
  • 2-(4-tert-Butyl-2,6-dimethylphenyl)acetonitrile
  • 4-tert-Butyl-2,6-dimethylphenylacetonitrile
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