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CAS 206559-46-8

:

4-Bromo-1-isothiocyanato-2-(trifluoromethyl)benzene

Description:
4-Bromo-1-isothiocyanato-2-(trifluoromethyl)benzene is an organic compound characterized by its unique functional groups and structural features. It contains a bromine atom and a trifluoromethyl group attached to a benzene ring, along with an isothiocyanate functional group. This compound is typically a solid at room temperature and is known for its potential applications in organic synthesis and as a building block in the development of pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its biological activity. Additionally, the isothiocyanate group is known for its reactivity, particularly in nucleophilic substitution reactions. The compound's molecular structure contributes to its chemical stability, although it may undergo hydrolysis or other reactions under certain conditions. Safety precautions should be taken when handling this compound, as isothiocyanates can be toxic and irritating. Overall, 4-Bromo-1-isothiocyanato-2-(trifluoromethyl)benzene is a valuable compound in the field of synthetic organic chemistry.
Formula:C8H3BrF3NS
InChI:InChI=1S/C8H3BrF3NS/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChI key:InChIKey=GWLIKBAQYRDIID-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(N=C=S)C=CC(Br)=C1
Synonyms:
  • 4-Bromo-1-Isothiocyanato-2-(Trifluoromethyl)Benzene
  • 4-Bromo-2-trifluoromethylphenylisothiocyanate
  • Benzene, 4-bromo-1-isothiocyanato-2-(trifluoromethyl)-
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