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CAS 40805-50-3

:

4-(chloroacetyl)benzonitrile

Description:
4-(Chloroacetyl)benzonitrile, with the CAS number 40805-50-3, is an organic compound characterized by its aromatic structure, which includes a benzonitrile moiety substituted with a chloroacetyl group. This compound typically appears as a solid at room temperature and is known for its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the chloroacetyl group introduces both electrophilic and nucleophilic reactivity, making it a versatile building block in chemical reactions. Its nitrile functional group contributes to its polarity and solubility in polar organic solvents. Additionally, 4-(chloroacetyl)benzonitrile may exhibit biological activity, which can be explored in medicinal chemistry. Safety considerations are important when handling this compound, as it may pose health risks due to its reactive functional groups. Proper storage and handling protocols should be followed to mitigate any hazards associated with its use.
Formula:C9H6ClNO
InChI:InChI=1/C9H6ClNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
SMILES:c1cc(ccc1C#N)C(=O)CCl
Synonyms:
  • Benzonitrile, 4-(2-Chloroacetyl)-
  • Benzonitrile, 4-(chloroacetyl)-
  • 4-(Chloroacetyl)benzonitrile
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