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CAS 249647-28-7

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3-Bromo-4-chlorobenzeneacetonitrile

Description:
3-Bromo-4-chlorobenzeneacetonitrile is an organic compound characterized by the presence of both bromine and chlorine substituents on a benzene ring, along with an acetonitrile functional group. Its molecular structure features a benzene ring with a bromine atom at the 3-position and a chlorine atom at the 4-position, which can influence its reactivity and physical properties. The acetonitrile group, which is a nitrile (-C≡N) attached to the benzene, contributes to the compound's polarity and solubility characteristics. Typically, compounds of this nature exhibit moderate to high stability under standard conditions, but their reactivity can be enhanced under specific conditions, such as in nucleophilic substitution reactions. The presence of halogens often makes such compounds useful in various synthetic applications, including pharmaceuticals and agrochemicals. Additionally, the compound's unique combination of functional groups may impart specific biological activities, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C8H5BrClN
InChI:InChI=1S/C8H5BrClN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
InChI key:InChIKey=MHPCTXBOVJTCKT-UHFFFAOYSA-N
SMILES:C(C#N)C1=CC(Br)=C(Cl)C=C1
Synonyms:
  • Benzeneacetonitrile, 3-bromo-4-chloro-
  • 2-(3-Bromo-4-chlorophenyl)acetonitrile
  • 3-Bromo-4-chlorobenzeneacetonitrile
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