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CAS 120511-74-2

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(3-Cyanomethyl-5-methylphenyl)acetonitrile

Description:
(3-Cyanomethyl-5-methylphenyl)acetonitrile, with the CAS number 120511-74-2, is an organic compound characterized by its functional groups and structural features. It contains a phenyl ring substituted with both a cyanomethyl group and a methyl group, contributing to its unique chemical properties. The presence of the acetonitrile moiety indicates that it has a nitrile functional group, which is known for its polar nature and ability to participate in various chemical reactions, including nucleophilic additions. This compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and temperature. Its molecular structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the presence of the nitrile group may impart certain reactivity, making it a useful intermediate in chemical reactions. Safety data should be consulted for handling and storage, as compounds with nitrile groups can pose health risks if not managed properly.
Formula:C11H10N2
InChI:InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3
InChI key:InChIKey=XJCXEUYJQHPEAE-UHFFFAOYSA-N
SMILES:C(C#N)C1=CC(CC#N)=CC(C)=C1
Synonyms:
  • (3-Cyanomethyl-5-methylphenyl)acetonitrile
  • 1,3,5-Bis-(Cyanomethyl) Toluene
  • 1,3-Benzenediacetonitrile, 5-methyl-
  • 1-Methyl-3,5-Benzene Diacetonitrile
  • 2,2'-(5-Methylbenzene-1,3-Diyl)Diacetonitrile
  • 2,2-(5-Methyl-1,3-Phenylene)Diacetonitrile
  • 3,5-Bis(Cyanomethyl)Toluene
  • 5-Methyl-1,3-Diacetonitrilbenzene
  • 5-Methyl-1,3-Diacetonitrilobenzene
  • 5-Methylbenzene-1,3-diacetonitrile
  • 5-Methyl-1,3-benzenediacetonitrile
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