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CAS 23165-49-3

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1-Chloro-2-isothiocyanato-4-(trifluoromethyl)benzene

Description:
1-Chloro-2-isothiocyanato-4-(trifluoromethyl)benzene, with the CAS number 23165-49-3, is an organic compound characterized by the presence of a chloro group, an isothiocyanate functional group, and a trifluoromethyl substituent on a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its reactivity, particularly due to the isothiocyanate group, which can participate in nucleophilic reactions and is often used in organic synthesis and as a building block in the development of pharmaceuticals and agrochemicals. The trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity. Additionally, the presence of chlorine can affect its stability and reactivity. Safety precautions should be taken when handling this compound, as it may pose health risks, including toxicity and potential environmental hazards. Proper storage and disposal methods are essential to mitigate any risks associated with its use.
Formula:C8H3ClF3NS
InChI:InChI=1S/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChI key:InChIKey=KHTMKXDMVYHDSY-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(N=C=S)=C(Cl)C=C1
Synonyms:
  • 1-Chloro-2-Isothiocyanato-4-(Trifluoromethyl)Benzene
  • 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate
  • Benzene, 1-chloro-2-isothiocyanato-4-(trifluoromethyl)-
  • Isothiocyanic acid, 6-chloro-α,α,α-trifluoro-m-tolyl ester
  • NSC 172980
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