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CAS 99195-86-5

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4-Chloro-2-(trifluoromethyl)phenyl isothiocyanate

Description:
4-Chloro-2-(trifluoromethyl)phenyl isothiocyanate, with the CAS number 99195-86-5, is an organic compound characterized by the presence of both a chloro group and a trifluoromethyl group attached to a phenyl ring, along with an isothiocyanate functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the isothiocyanate group, which can readily react with amines and alcohols to form thioureas and thiocarbamates, respectively. 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, the chloro substituent can affect the compound's electronic properties and stability. As with many isothiocyanates, it may exhibit biological activity, including potential antimicrobial or herbicidal properties, but handling should be done with care due to its potential toxicity and irritant effects.
Formula:C8H3ClF3NS
InChI:InChI=1/C8H3ClF3NS/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
SMILES:c1cc(c(cc1Cl)C(F)(F)F)N=C=S
Synonyms:
  • 4-Chloro-1-Isothiocyanato-2-(Trifluoromethyl)Benzene
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