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CAS 914636-68-3

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2-Chloro-4-fluoro-β-oxobenzenepropanenitrile

Description:
2-Chloro-4-fluoro-β-oxobenzenepropanenitrile, with the CAS number 914636-68-3, is a chemical compound that features a complex structure characterized by the presence of a chloro and a fluoro substituent on a benzene ring, along with a β-oxoketone and a nitrile functional group. This compound typically exhibits a solid state at room temperature and is likely to be soluble in organic solvents due to its aromatic nature. The presence of the chloro and fluoro groups can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. Additionally, the nitrile group contributes to its polarity and can participate in further chemical transformations. The compound may have applications in pharmaceuticals or agrochemicals, given the significance of halogenated compounds in medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C9H5ClFNO
InChI:InChI=1S/C9H5ClFNO/c10-8-5-6(11)1-2-7(8)9(13)3-4-12/h1-2,5H,3H2
InChI key:InChIKey=MIOTWPYHVPCPKT-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=C(Cl)C=C(F)C=C1
Synonyms:
  • 2-Chloro-4-fluorobenzoylacetonitrile
  • 2-Chloro-4-fluoro-β-oxobenzenepropanenitrile
  • 3-(2-Chloro-4-fluorophenyl)-3-oxopropionitrile
  • Benzenepropanenitrile, 2-chloro-4-fluoro-β-oxo-
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