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CAS 5219-07-8

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α-Acetyl-4-chlorobenzeneacetonitrile

Description:
α-Acetyl-4-chlorobenzeneacetonitrile, with the CAS number 5219-07-8, is an organic compound characterized by its functional groups, including an acetyl group and a nitrile group attached to a chlorobenzene ring. This compound typically appears as a solid or crystalline substance and is known for its aromatic properties due to the presence of the chlorobenzene moiety. It is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. The presence of the nitrile group contributes to its reactivity, allowing for various chemical transformations. Additionally, the chlorinated aromatic structure can influence its solubility and stability in different solvents. Safety data sheets indicate that it should be handled with care, as it may pose health risks if inhaled or ingested. Overall, α-Acetyl-4-chlorobenzeneacetonitrile is a valuable compound in synthetic organic chemistry, with applications that leverage its unique chemical properties.
Formula:C10H8ClNO
InChI:InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChI key:InChIKey=IPBZEJZUAZXNOS-UHFFFAOYSA-N
SMILES:C(C(C)=O)(C#N)C1=CC=C(Cl)C=C1
Synonyms:
  • (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
  • (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
  • 2-(4-Chloro-phenyl)-3-oxo-butyronitrile
  • 2-(4-Chlorophenyl)-3-Oxobutanenitrile
  • 2-(p-Chlorophenyl)acetoacetonitrile
  • 2-Acetyl-(4-chlorophenyl)acetonitrile
  • Acetoacetonitrile, 2-(p-chlorophenyl)-
  • Benzeneacetonitrile, alpha-acetyl-4-chloro-
  • Benzeneacetonitrile, α-acetyl-4-chloro-
  • Brn 0744679
  • See more synonyms
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