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CAS 58609-73-7

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α-Methyl-4-(2-methylpropyl)benzeneacetonitrile

Description:
α-Methyl-4-(2-methylpropyl)benzeneacetonitrile, also known by its CAS number 58609-73-7, is an organic compound characterized by its structure, which features a benzene ring substituted with a nitrile group and an isopropyl side chain. This compound typically exhibits properties common to nitriles, such as being a colorless to pale yellow liquid with a distinctive odor. It is generally insoluble in water but soluble in organic solvents like ethanol and ether. The presence of the nitrile functional group contributes to its reactivity, allowing it to participate in various chemical reactions, including nucleophilic additions and hydrolysis. The compound may also exhibit moderate volatility and can be flammable under certain conditions. Safety data sheets should be consulted for handling and storage guidelines, as nitriles can pose health risks if inhaled or ingested. Overall, α-Methyl-4-(2-methylpropyl)benzeneacetonitrile is of interest in organic synthesis and may have applications in pharmaceuticals or agrochemicals.
Formula:C13H17N
InChI:InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3
InChI key:InChIKey=PKQKHWNHCKNYSW-UHFFFAOYSA-N
SMILES:C(C(C)C)C1=CC=C(C(C#N)C)C=C1
Synonyms:
  • 2-(4-Isobutylphenyl)propanenitrile
  • 2-(4-Isobutylphenyl)propionitrile
  • 2-[4-(2-Methylpropyl)Phenyl]Propanenitrile
  • Benzeneacetonitrile, α-methyl-4-(2-methylpropyl)-
  • α-Methyl-4-(2-methylpropyl)benzeneacetonitrile
  • 2-(4-Isobutylphenyl)propiononitrile
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