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CAS 91131-80-5

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2-(1-Methylethyl)benzeneacetonitrile

Description:
2-(1-Methylethyl)benzeneacetonitrile, also known as isobutyl phenylacetonitrile, is an organic compound characterized by its aromatic structure and nitrile functional group. It features a benzene ring substituted with an isobutyl group and an acetonitrile moiety, contributing to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid and has a relatively low solubility in water, while being more soluble in organic solvents. Its molecular structure allows for various applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the nitrile group imparts certain reactivity, making it useful in nucleophilic addition reactions. Additionally, the compound may exhibit moderate volatility and specific boiling and melting points, which are important for handling and storage. Safety data should be consulted, as with any chemical, to understand its potential hazards and necessary precautions during use.
Formula:C11H13N
InChI:InChI=1S/C11H13N/c1-9(2)11-6-4-3-5-10(11)7-8-12/h3-6,9H,7H2,1-2H3
InChI key:InChIKey=JNHQPAFFOHBPNL-UHFFFAOYSA-N
SMILES:C(C)(C)C1=C(CC#N)C=CC=C1
Synonyms:
  • 2-(2-Isopropylphenyl)acetonitrile
  • Benzeneacetonitrile, 2-(1-methylethyl)-
  • o-Cymene-7-carbonitrile
  • 2-(1-Methylethyl)benzeneacetonitrile
  • 2-[2-(Propan-2-yl)phenyl]acetonitrile
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