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CAS 91949-95-0

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4-(1-Methylethoxy)benzonitrile

Description:
4-(1-Methylethoxy)benzonitrile, with the CAS number 91949-95-0, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a nitrile group and an ethoxy group. The presence of the nitrile (-C≡N) functional group imparts notable properties, such as polarity and the ability to participate in various chemical reactions, including nucleophilic additions. The ethoxy group, derived from isopropanol, contributes to the compound's hydrophobic characteristics and can influence its solubility in organic solvents. This compound may exhibit moderate volatility and is likely to be stable under standard conditions, although it should be handled with care due to potential toxicity associated with nitriles. Its applications may span across fields such as pharmaceuticals, agrochemicals, and materials science, where it can serve as an intermediate or a building block for more complex molecules. As with all chemical substances, proper safety measures should be observed when handling 4-(1-Methylethoxy)benzonitrile to mitigate any health risks.
Formula:C10H11NO
InChI:InChI=1S/C10H11NO/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3
InChI key:InChIKey=OJZKKEGJFOAAAV-UHFFFAOYSA-N
SMILES:O(C(C)C)C1=CC=C(C#N)C=C1
Synonyms:
  • 4-(1-Methylethoxy)benzonitrile
  • Benzonitrile, 4-(1-methylethoxy)-
  • 4-Isopropoxybenzonitrile
  • 4-Isopropyloxybenzonitrile
  • Benzonitrile, p-isopropoxy-
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