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CAS 60811-23-6

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3-Chloro-4-fluorobenzenethiol

Description:
3-Chloro-4-fluorobenzenethiol, with the CAS number 60811-23-6, is an organosulfur compound characterized by the presence of both a chlorine and a fluorine atom on a benzene ring, along with a thiol (-SH) functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It has a distinct odor associated with thiols, which is often described as unpleasant or sulfurous. The presence of the chlorine and fluorine substituents can influence its reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The thiol group contributes to its potential as a nucleophile in various chemical reactions. Additionally, 3-chloro-4-fluorobenzenethiol may exhibit properties such as moderate solubility in organic solvents and limited solubility in water, which is typical for many thiol compounds. Safety precautions should be taken when handling this substance, as thiols can be toxic and irritating to the skin and respiratory system.
Formula:C6H4ClFS
InChI:InChI=1S/C6H4ClFS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChI key:InChIKey=SFSHSIFYTWIGSF-UHFFFAOYSA-N
SMILES:ClC1=C(F)C=CC(S)=C1
Synonyms:
  • 3-Chloro-4-Fluorobenzenethiolate
  • 3-Chloro-4-fluorobenzene-1-thiol
  • 3-Chloro-4-fluorobenzenethiol
  • Benzenethiol, 3-chloro-4-fluoro-
  • Shr Cg Df
  • 3-Chloro-4-fluorothiophenol
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