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CAS 59594-65-9

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2-Bromo-4-(trifluoromethyl)benzenethiol

Description:
2-Bromo-4-(trifluoromethyl)benzenethiol is an organosulfur compound characterized by the presence of a thiol (-SH) group attached to a benzene ring that also features a bromine atom and a trifluoromethyl group (-CF3). The molecular structure consists of a benzene ring substituted at the 2-position with a bromine atom and at the 4-position with a trifluoromethyl group, which significantly influences its chemical reactivity and physical properties. This compound is typically a solid at room temperature and exhibits a distinct odor due to the thiol functional group. It is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group enhances its lipophilicity and may improve biological activity. Additionally, the bromine atom can serve as a site for further chemical modifications. Safety precautions should be taken when handling this compound, as thiols can be toxic and have strong odors.
Formula:C7H4BrF3S
InChI:InChI=1S/C7H4BrF3S/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
InChI key:InChIKey=GTBJPCSVDHUDFU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(Br)=C(S)C=C1
Synonyms:
  • 2-Bromo-4-(trifluoromethyl)benzenethiol
  • Benzenethiol, 2-bromo-4-(trifluoromethyl)-
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