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CAS 886501-19-5

:

1-Bromo-2-chloro-4-isothiocyanato-5-methylbenzene

Description:
1-Bromo-2-chloro-4-isothiocyanato-5-methylbenzene, with the CAS number 886501-19-5, is an organic compound that belongs to the class of halogenated aromatic compounds. It features a benzene ring substituted with a bromine atom, a chlorine atom, and an isothiocyanate group, along with a methyl group. This compound is characterized by its potential reactivity due to the presence of both halogen substituents and the isothiocyanate functional group, which can participate in various chemical reactions, including nucleophilic substitutions and addition reactions. The presence of these functional groups also suggests that it may exhibit biological activity, making it of interest in medicinal chemistry and agrochemical applications. Additionally, the compound's structure indicates that it may have specific physical properties, such as solubility in organic solvents and a certain degree of volatility, which can influence its behavior in different environments. Safety and handling precautions should be observed due to the potential toxicity associated with halogenated compounds and isothiocyanates.
Formula:C8H5BrClNS
InChI:InChI=1S/C8H5BrClNS/c1-5-2-6(9)7(10)3-8(5)11-4-12/h2-3H,1H3
InChI key:InChIKey=KWMYSOAUHVIFPE-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=C(Br)C(Cl)=C1
Synonyms:
  • Benzene, 1-bromo-2-chloro-4-isothiocyanato-5-methyl-
  • 1-Bromo-2-chloro-4-isothiocyanato-5-methylbenzene
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