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CAS 16588-69-5

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4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE

Description:
4-Chloro-2-(trifluoromethyl)phenyl isocyanate, with the CAS number 16588-69-5, 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 chlorine atom and a trifluoromethyl group (-CF3). 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 nucleophilic addition reactions, making it useful in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. The trifluoromethyl group enhances its lipophilicity and biological activity, while the chlorine atom can influence its electronic properties. Due to its isocyanate functionality, it can be hazardous, requiring careful handling to avoid exposure, as isocyanates are known to be irritants and potential sensitizers. Proper storage and safety precautions are essential when working with this compound in laboratory or industrial settings.
Formula:C8H3ClF3NO
InChI:InChI=1/C8H3ClF3NO/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=O
Synonyms:
  • Timtec-Bb Sbb006655
  • 4-Chloro-2-(trifluoromethyl)phenyl isocyanate 97%
  • 4-Chloro-2-(trifluoromethyl)phenylisocyanate97%
  • 4-Chloro-1-Isocyanato-2-(Trifluoromethyl)Benzene
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