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CAS 40692-21-5

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α,α-Diethyl-3-methoxybenzeneacetonitrile

Description:
α,α-Diethyl-3-methoxybenzeneacetonitrile, with the CAS number 40692-21-5, is an organic compound characterized by its unique structure, which includes a methoxy group and a nitrile functional group. This compound typically appears as a colorless to pale yellow liquid and is known for its aromatic properties due to the presence of the benzene ring. The diethyl substituents contribute to its hydrophobic characteristics, making it less soluble in water but more soluble in organic solvents. It is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. The presence of the acetonitrile group suggests potential applications in reactions involving nucleophiles or as a solvent in chemical processes. As with many organic compounds, safety precautions should be observed when handling this substance, as it may pose health risks if ingested or inhaled. Proper storage conditions are also essential to maintain its stability and prevent degradation.
Formula:C13H17NO
InChI:InChI=1S/C13H17NO/c1-4-13(5-2,10-14)11-7-6-8-12(9-11)15-3/h6-9H,4-5H2,1-3H3
InChI key:InChIKey=XBMRGQQFSXVBKN-UHFFFAOYSA-N
SMILES:C(CC)(CC)(C#N)C1=CC(OC)=CC=C1
Synonyms:
  • Butyronitrile, 2-ethyl-2-(m-methoxyphenyl)-
  • 2-Ethyl-2-(3-methoxyphenyl)butyronitrile
  • Benzeneacetonitrile, α,α-diethyl-3-methoxy-
  • α,α-Diethyl-3-methoxybenzeneacetonitrile
  • 2-Ethyl-2-(3-methoxyphenyl)butanenitrile
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