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CAS 471937-78-7

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1-isothiocyanato-3-(trifluoromethoxy)benzene

Description:
1-Isothiocyanato-3-(trifluoromethoxy)benzene, with the CAS number 471937-78-7, is an organic compound characterized by the presence of both an isothiocyanate functional group and a trifluoromethoxy substituent on a benzene ring. The isothiocyanate group (-N=C=S) is known for its reactivity, particularly in nucleophilic addition reactions, and is often utilized in the synthesis of various organic compounds and in biological applications due to its potential as a bioactive agent. The trifluoromethoxy group (-O-CF3) enhances the compound's lipophilicity and may influence its electronic properties, making it of interest in medicinal chemistry and materials science. This compound is typically a colorless to pale yellow liquid or solid, depending on its state at room temperature, and is expected to exhibit moderate to high stability under standard conditions. Its unique combination of functional groups may impart specific reactivity patterns, making it a valuable intermediate in organic synthesis and a subject of study in chemical research.
Formula:C8H4F3NOS
InChI:InChI=1/C8H4F3NOS/c9-8(10,11)13-7-3-1-2-6(4-7)12-5-14/h1-4H
SMILES:c1cc(cc(c1)OC(F)(F)F)N=C=S
Synonyms:
  • 3-Isothiocyanatophenyl trifluoromethyl ether
  • Benzene, 1-isothiocyanato-3-(trifluoromethoxy)-
  • 1-Isothiocyanato-3-(trifluoromethoxy)benzene
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