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CAS 1208075-20-0

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4-Fluoro-3-(trifluoromethyl)benzenethiol

Description:
4-Fluoro-3-(trifluoromethyl)benzenethiol is an organofluorine compound characterized by the presence of a thiol (-SH) functional group attached to a benzene ring that also features a fluorine atom and a trifluoromethyl group (-CF3). This compound exhibits unique properties due to the electronegative fluorine atoms, which can influence its reactivity and polarity. The presence of the thiol group suggests that it may participate in nucleophilic reactions and can form disulfide bonds under oxidative conditions. Additionally, the trifluoromethyl group is known to enhance the lipophilicity and metabolic stability of compounds, making them more resistant to degradation. The compound's structure indicates potential applications in pharmaceuticals, agrochemicals, and materials science, particularly in the development of fluorinated compounds with specific electronic and steric properties. Its synthesis and handling require careful consideration due to the reactivity of the thiol group and the potential environmental impact of fluorinated compounds.
Formula:C7H4F4S
InChI:InChI=1S/C7H4F4S/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChI key:InChIKey=ZJMVICZUOVOBPE-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(F)C=CC(S)=C1
Synonyms:
  • Benzenethiol, 4-fluoro-3-(trifluoromethyl)-
  • 4-Fluoro-3-(trifluoromethyl)benzenethiol
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