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CAS 871353-12-7

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3-Bromo-2-fluorobenzenethiol

Description:
3-Bromo-2-fluorobenzenethiol, with the CAS number 871353-12-7, is an organosulfur compound characterized by the presence of a thiol (-SH) group attached to a benzene ring that also bears both bromine and fluorine substituents. This compound typically exhibits a pale yellow to brownish color and is soluble in organic solvents. Its molecular structure features a bromine atom at the meta position and a fluorine atom at the ortho position relative to the thiol group, which influences its reactivity and physical properties. The presence of both halogens can enhance the compound's electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the thiol group contributes to its potential applications in organic synthesis and materials science, particularly in the development of functionalized surfaces and ligands in coordination chemistry. As with many organosulfur compounds, 3-bromo-2-fluorobenzenethiol may exhibit distinct odor characteristics and should be handled with care due to potential toxicity and reactivity.
Formula:C6H4BrFS
InChI:InChI=1S/C6H4BrFS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChI key:InChIKey=TVQPCUNOYOVJJP-UHFFFAOYSA-N
SMILES:FC1=C(Br)C=CC=C1S
Synonyms:
  • Benzenethiol, 3-bromo-2-fluoro-
  • 3-Bromo-2-fluorobenzenethiol
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