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CAS 77533-18-7

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2-(bromomethyl)-3-chlorobenzonitrile

Description:
2-(Bromomethyl)-3-chlorobenzonitrile is an organic compound characterized by the presence of a benzene ring substituted with both a bromomethyl group and a chlorobenzonitrile group. The compound features a bromine atom attached to a methylene (-CH2-) group, which is further connected to a chlorinated benzene ring that also contains a nitrile (-C≡N) functional group. This structure imparts a range of chemical properties, including potential reactivity due to the presence of halogen substituents, which can participate in nucleophilic substitution reactions. The nitrile group contributes to the compound's polarity and can influence its solubility in various solvents. Additionally, the presence of both bromine and chlorine atoms may enhance the compound's biological activity, making it of interest in pharmaceutical and agrochemical research. The compound's CAS number, 77533-18-7, allows for easy identification and retrieval of information in chemical databases. Overall, 2-(bromomethyl)-3-chlorobenzonitrile is a versatile compound with applications in synthetic organic chemistry.
Formula:C8H5BrClN
InChI:InChI=1S/C8H5BrClN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2
InChI key:InChIKey=ZZBRTAXRIKBTMY-UHFFFAOYSA-N
SMILES:C(#N)C1=C(CBr)C(Cl)=CC=C1
Synonyms:
  • 2-Chloro-6-cyanobenzyl bromide
  • 3-Chloro-2-(bromomethyl)benzonitrile
  • Benzonitrile, 2-(Bromomethyl)-3-Chloro-
  • 2-(Bromomethyl)-3-chlorobenzonitrile
  • 2-Bromomethyl-3-chlorobenzonitrile
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