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CAS 10413-01-1

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4-Methyl-5-oxohexanenitrile

Description:
4-Methyl-5-oxohexanenitrile, with the CAS number 10413-01-1, is an organic compound characterized by its nitrile functional group and a ketone moiety. It features a six-carbon chain with a methyl group at the fourth position and a carbonyl group at the fifth position, contributing to its unique chemical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents, which makes it useful in various chemical reactions and syntheses. The presence of the nitrile group indicates potential reactivity, particularly in nucleophilic addition reactions. Additionally, 4-Methyl-5-oxohexanenitrile may exhibit moderate toxicity and should be handled with care in laboratory settings. Its applications can range from serving as an intermediate in organic synthesis to being utilized in the development of pharmaceuticals or agrochemicals. As with many organic compounds, proper safety measures should be observed when working with this substance to mitigate any health risks.
Formula:C7H11NO
InChI:InChI=1S/C7H11NO/c1-6(7(2)9)4-3-5-8/h6H,3-4H2,1-2H3
InChI key:InChIKey=NWVJJSXURDQKFU-UHFFFAOYSA-N
SMILES:C(C(C)=O)(CCC#N)C
Synonyms:
  • Hexanenitrile, 4-methyl-5-oxo-
  • 3-(2-Cyanoethyl)-2-butanone
  • 4-Methyl-5-oxocapronitrile
  • 4-Methyl-5-oxohexanenitrile
  • 4-Methyl-5-oxohexanonitrile
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