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CAS 1160574-40-2

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4-Bromo-3,5-dichlorobenzonitrile

Description:
4-Bromo-3,5-dichlorobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with bromine and chlorine atoms, as well as a nitrile functional group. The presence of the bromine and two chlorine atoms on the benzene ring contributes to its reactivity and potential applications in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals. The nitrile group (-C≡N) enhances the compound's polarity, influencing its solubility in organic solvents and its interaction with biological systems. This compound is typically a solid at room temperature and may exhibit moderate to high toxicity, necessitating careful handling and storage. Its unique substitution pattern can lead to interesting electronic properties, making it a subject of study in materials science and medicinal chemistry. As with many halogenated compounds, it may also have implications for environmental chemistry, particularly regarding persistence and bioaccumulation.
Formula:C7H2BrCl2N
InChI:InChI=1S/C7H2BrCl2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H
InChI key:InChIKey=YNSCSZAITFCOOW-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(Cl)=C(Br)C(Cl)=C1
Synonyms:
  • Benzonitrile, 4-bromo-3,5-dichloro-
  • 4-Bromo-3,5-dichlorobenzonitrile
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