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CAS 5955-74-8

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3-Methyl-α-oxobenzeneacetonitrile

Description:
3-Methyl-α-oxobenzeneacetonitrile, also known by its CAS number 5955-74-8, is an organic compound characterized by its structure, which includes a benzene ring substituted with a methyl group and an acetonitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is known for its role in organic synthesis, particularly in the production of various pharmaceuticals and agrochemicals. The presence of both the ketone and nitrile functional groups contributes to its reactivity, making it a valuable intermediate in chemical reactions. Additionally, 3-Methyl-α-oxobenzeneacetonitrile may exhibit moderate solubility in organic solvents, while its solubility in water is generally low. Safety data indicates that, like many nitriles, it should be handled with care due to potential toxicity and irritant properties. Proper storage and handling protocols are essential to ensure safety when working with this compound in laboratory or industrial settings.
Formula:C9H7NO
InChI:InChI=1S/C9H7NO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,1H3
InChI key:InChIKey=JEOHRIFJRDJKGQ-UHFFFAOYSA-N
SMILES:C(C#N)(=O)C1=CC(C)=CC=C1
Synonyms:
  • Benzeneacetonitrile, 3-methyl-α-oxo-
  • 3-Methylbenzoyl cyanide
  • m-Methylbenzoyl cyanide
  • 3-Methyl-α-oxobenzeneacetonitrile
  • Glyoxylonitrile, m-tolyl-
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