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CAS 1645-65-4

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4-Isothiocyanatobenzotrifluoride

Description:
4-Isothiocyanatobenzotrifluoride, with the CAS number 1645-65-4, is an organic compound characterized by the presence of both isothiocyanate and trifluoromethyl groups attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid and is known for its distinctive pungent odor. It is soluble in organic solvents and exhibits limited solubility in water. The presence of the trifluoromethyl group enhances its chemical stability and lipophilicity, making it useful in various chemical applications, including as a reagent in organic synthesis and in the development of pharmaceuticals. Additionally, the isothiocyanate functional group is known for its reactivity, particularly in nucleophilic substitution reactions, which can be exploited in the synthesis of more complex molecules. Due to its chemical properties, 4-Isothiocyanatobenzotrifluoride may pose certain health and environmental risks, necessitating careful handling and appropriate safety measures in laboratory and industrial settings.
Formula:C3H2F4
InChI:InChI=1/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+
Synonyms:
  • 4-(Trifluoromethyl)phenyl isothiocyanate
  • alpha,alpha,alpha-Trifluoro-p-tolyl isothiocyanate
  • (1E)-1,3,3,3-tetrafluoroprop-1-ene
  • p-(Trifluoromethyl)phenyl isothiocyanate
  • p-Trifluoromethylphenyl isothiocyanate
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