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CAS 24032-84-6

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4-(Trifluoromethylthio)phenyl isocyanate

Description:
4-(Trifluoromethylthio)phenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that is further substituted with a trifluoromethylthio group (-SCF3). This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The trifluoromethylthio group imparts unique electronic and steric properties, enhancing the compound's utility in various chemical syntheses and applications, including agrochemicals and pharmaceuticals. Due to the presence of the isocyanate group, it is important to handle this substance with care, as isocyanates are known to be toxic and can cause respiratory irritation. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are essential when working with this compound.
Formula:C20H6F30O4
InChI:InChI=1/C20H6F30O4/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-53-5(51)1-2-6(52)54-4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h1-2H,3-4H2/b2-1+
Synonyms:
  • 1-Isocyanato-4-[(trifluoromethyl)sulfanyl]benzene
  • 4-Isocyanatophenyl trifluoromethyl sulfide
  • Benzene, 1-Isocyanato-4-[(Trifluoromethyl)Thio]-
  • bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) (2E)-but-2-enedioate
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