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CAS 98041-69-1

:

4-bromo-2-chlorophenyl isothiocyanate

Description:
4-Bromo-2-chlorophenyl isothiocyanate is an organic compound characterized by the presence of both bromine and chlorine substituents on a phenyl ring, along with an isothiocyanate functional group. Its molecular structure features a phenyl ring substituted at the 2-position with a chlorine atom and at the 4-position with a bromine atom, which contributes to its reactivity and potential applications in various chemical reactions. The isothiocyanate group (-N=C=S) is known for its ability to participate in nucleophilic reactions, making this compound useful in synthetic organic chemistry, particularly in the development of agrochemicals and pharmaceuticals. The presence of halogens can influence the compound's physical properties, such as solubility and boiling point, as well as its biological activity. Additionally, 4-bromo-2-chlorophenyl isothiocyanate may exhibit specific toxicological properties, necessitating careful handling and storage. As with many isothiocyanates, it may also possess antimicrobial or anticancer properties, warranting further investigation in medicinal chemistry.
Formula:C7H3BrClNS
InChI:InChI=1/C7H3BrClNS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
SMILES:c1cc(c(cc1Br)Cl)N=C=S
Synonyms:
  • 4-Bromo-2-chloroisothiocyanatobenzene
  • 1-Bromo-2-Chloro-4-Isothiocyanatobenzene
  • 4-Bromo-2-Chloro-1-Isothiocyanatobenzene
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