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CAS 76729-41-4

:

2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene

Description:
2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene, with the CAS number 76729-41-4, is an organic compound characterized by the presence of a chloro group, an isocyanate functional group, and a trifluoromethylthio substituent on a benzene ring. This compound typically exhibits a pale yellow to brownish color and is known for its reactivity due to the isocyanate group, which can participate in nucleophilic addition reactions. The trifluoromethylthio group enhances its chemical stability and lipophilicity, making it useful in various applications, including agrochemicals and pharmaceuticals. The presence of chlorine and trifluoromethyl groups can also influence its biological activity and environmental persistence. As with many isocyanates, it is important to handle this compound with care due to its potential toxicity and irritant properties. Proper safety measures, including the use of personal protective equipment, are essential when working with this substance in laboratory or industrial settings.
Formula:C8H3ClF3NOS
InChI:InChI=1S/C8H3ClF3NOS/c9-6-3-5(13-4-14)1-2-7(6)15-8(10,11)12/h1-3H
InChI key:InChIKey=QRTGGBWQVAPQNT-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)C1=C(Cl)C=C(N=C=O)C=C1
Synonyms:
  • Benzene, 2-chloro-4-isocyanato-1-[(trifluoromethyl)thio]-
  • 2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene
  • 2-Chloro-4-isocyanato-1-trifluoromethylsulfanylbenzene
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