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CAS 175205-38-6

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2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

Description:
2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate is an organic compound characterized by the presence of both isothiocyanate and chlorinated aromatic functionalities. Its molecular structure features a phenyl ring substituted with a chlorine atom and a trifluoromethyl group, which significantly influences its chemical reactivity and physical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the isothiocyanate functional group, which can readily react with amines and alcohols. The trifluoromethyl group enhances the compound's lipophilicity and can affect its biological activity, making it of interest in various fields, including medicinal chemistry and agrochemicals. Additionally, safety precautions should be taken when handling this compound, as it may pose health risks due to its potential toxicity and reactivity. Proper storage and handling protocols are essential to ensure safety in laboratory and industrial settings.
Formula:C8H3ClF3NS
InChI:InChI=1/C8H3ClF3NS/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
SMILES:c1cc(c(cc1C(F)(F)F)Cl)N=C=S
Synonyms:
  • Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)- (9CI)
  • 2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate 97%
  • 2-Chloro-4-(trifluoromethyl)phenylisothiocyanate97%
  • 3-Chloro-4-isothiocyanatobenzotrifluoride
  • 2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene
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