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CAS 1000339-53-6

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2-Bromo-3-fluorobenzeneacetonitrile

Description:
2-Bromo-3-fluorobenzeneacetonitrile, with the CAS number 1000339-53-6, is an organic compound characterized by the presence of both bromine and fluorine substituents on a benzene ring, along with a nitrile functional group. This compound typically exhibits a colorless to pale yellow appearance and is soluble in organic solvents. The presence of the bromine and fluorine atoms contributes to its reactivity and potential applications in various chemical reactions, including nucleophilic substitutions and coupling reactions. The nitrile group (-C≡N) enhances the compound's polarity and can influence its interactions in biological systems. Additionally, the compound may exhibit interesting electronic properties due to the halogen substituents, which can affect its behavior in photochemical processes. As with many halogenated compounds, it is essential to handle 2-Bromo-3-fluorobenzeneacetonitrile with care, as it may pose environmental and health risks. Proper safety protocols should be followed when working with this substance in laboratory settings.
Formula:C8H5BrFN
InChI:InChI=1S/C8H5BrFN/c9-8-6(4-5-11)2-1-3-7(8)10/h1-3H,4H2
InChI key:InChIKey=FNRKRGGFBOTOAT-UHFFFAOYSA-N
SMILES:C(C#N)C1=C(Br)C(F)=CC=C1
Synonyms:
  • (2-Bromo-3-fluoro-phenyl)acetonitrile
  • 2-(2-Bromo-3-fluorophenyl)acetonitrile
  • Benzeneacetonitrile, 2-bromo-3-fluoro-
  • 2-Bromo-3-fluorobenzeneacetonitrile
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