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CAS 32265-82-0

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4-Bromo-2,6-dimethylisothiocyanatobenzene

Description:
4-Bromo-2,6-dimethylisothiocyanatobenzene is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a bromine atom and an isothiocyanate functional group. The presence of the isothiocyanate group (-N=C=S) is significant, as it imparts unique reactivity and biological properties, often making such compounds of interest in medicinal chemistry and agrochemicals. The two methyl groups at the 2 and 6 positions of the benzene ring contribute to the compound's hydrophobic characteristics and influence its solubility in organic solvents. This compound is typically synthesized through reactions involving brominated precursors and isothiocyanate formation. Its molecular structure suggests potential applications in various fields, including pharmaceuticals and materials science, due to the reactivity of the isothiocyanate group, which can participate in nucleophilic addition reactions. Safety data should be consulted, as compounds containing isothiocyanate groups can be toxic and require careful handling. Overall, 4-Bromo-2,6-dimethylisothiocyanatobenzene is a notable compound with diverse chemical properties and potential applications.
Formula:C9H8BrNS
InChI:InChI=1/C9H8BrNS/c1-6-3-8(10)4-7(2)9(6)11-5-12/h3-4H,1-2H3
SMILES:Cc1cc(cc(C)c1N=C=S)Br
Synonyms:
  • 4-Bromo-2,6-dimethylphenyl isothiocyanate
  • 5-Bromo-2-Isothiocyanato-1,3-Dimethylbenzene
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