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CAS 19241-39-5

:

2-Bromo-4-methylisothiocyanatobenzene

Description:
2-Bromo-4-methylisothiocyanatobenzene, with the CAS number 19241-39-5, is an organic compound that belongs to the class of isothiocyanates. It features a benzene ring substituted with a bromine atom and an isothiocyanate group, which contributes to its reactivity and biological activity. The presence of the isothiocyanate functional group (-N=C=S) is notable for its potential applications in medicinal chemistry, particularly in the development of anticancer agents and other pharmaceuticals. This compound is typically characterized by its moderate solubility in organic solvents and limited solubility in water, which is common for many aromatic isothiocyanates. Its molecular structure suggests that it may exhibit interesting chemical properties, including nucleophilicity and the ability to participate in various chemical reactions, such as electrophilic aromatic substitution. Additionally, the bromine substituent can influence the compound's reactivity and stability, making it a subject of interest in synthetic organic chemistry and material science. Safety precautions should be taken when handling this compound due to its potential toxicity and reactivity.
Formula:C8H6BrNS
InChI:InChI=1/C8H6BrNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
SMILES:Cc1ccc(c(c1)Br)N=C=S
Synonyms:
  • 2-Bromo-4-methylphenyl isothiocyanate
  • 2-Bromo-1-Isothiocyanato-4-Methylbenzene
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