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CAS 64285-95-6

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(4-(trifluoromethoxy)phenyl)isothiocyanate

Description:
(4-(Trifluoromethoxy)phenyl)isothiocyanate is an organic compound characterized by the presence of both isothiocyanate and trifluoromethoxy functional groups. Its molecular structure features a phenyl ring substituted at the para position with a trifluoromethoxy group, which enhances its reactivity and solubility in organic solvents. The isothiocyanate functional group (-N=C=S) is known for its versatility in chemical reactions, particularly in the synthesis of thioureas and other nitrogen-containing compounds. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It exhibits moderate to high toxicity, necessitating careful handling and storage. Its unique electronic properties, influenced by the trifluoromethoxy group, can affect its reactivity and interactions with biological systems, making it of interest in medicinal chemistry and agrochemical applications. Additionally, it may serve as a useful intermediate in the synthesis of various pharmaceuticals and agrochemicals, highlighting its significance in chemical research and development.
Formula:C8H4F3NOS
InChI:InChI=1/C8H4F3NO2S/c9-8(10,11)14-6-1-3-7(4-2-6)15-12-5-13/h1-4H
SMILES:c1cc(ccc1OC(F)(F)F)SN=C=O
Synonyms:
  • 4-(Trifluoromethoxy)phenylisothiocyanate
  • 4-(Trifluoromethoxy)phenyl Isothiocyanate
  • 4-(Trifluoromethoxy)phenyl isothiocyanate 97%
  • 4-(Trifluoromethoxy)phenylisothiocyanate97%
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