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CAS 1840-19-3

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3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

Description:
3-(Trifluoromethyl)phenyl isothiocyanate is an organic compound characterized by the presence of a trifluoromethyl group attached to a phenyl ring, along with an isothiocyanate functional group. Its molecular structure features a phenyl ring substituted at the meta position with a trifluoromethyl group (–CF3) and an isothiocyanate group (–N=C=S). This compound is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. The trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and agrochemical applications. Additionally, 3-(trifluoromethyl)phenyl isothiocyanate may exhibit unique physical properties, such as a distinct odor and varying solubility in organic solvents. Safety considerations are important when handling this compound, as isothiocyanates can be irritants and potentially harmful. Overall, this compound serves as a valuable building block in synthetic organic chemistry and has potential applications in various fields.
Formula:C8H4F3NS
InChI:InChI=1/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
SMILES:c1cc(cc(c1)N=C=S)C(F)(F)F
Synonyms:
  • 1-Isothiocyanato-3-Trifluoromethyl-Benzene
  • Alpha,Alpha,Alpha-Trifluoro-M-Tolyl Isothiocyanate
  • -(Trifluoromethyl)phenylisothiocyanate
  • Isothiocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester
  • m-Trifluoromethylphenol isothiocyanate
  • M-(Trifluoromethyl)Phenyl Isothiocyanate
  • Timtec-Bb Sbb006553
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