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CAS 186589-12-8

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4-bromo-2-(trifluoromethyl)phenyl iso-cyanate

Description:
4-Bromo-2-(trifluoromethyl)phenyl isocyanate 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 bromine atom and a trifluoromethyl group (-CF3). This compound typically exhibits a high reactivity due to the isocyanate group, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. The presence of the bromine and trifluoromethyl groups can influence its physical properties, such as solubility and volatility, as well as its reactivity in nucleophilic addition reactions. Additionally, the trifluoromethyl group often imparts unique electronic properties, enhancing the compound's stability and lipophilicity. Safety considerations are important when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation. Proper protective measures should be taken to minimize exposure during laboratory or industrial use.
Formula:C8H3BrF3NO
InChI:InChI=1/C8H3BrF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
SMILES:c1cc(c(cc1Br)C(F)(F)F)N=C=O
Synonyms:
  • 4-Bromo-2-(trifluoromethyl)phenyl isocyanate
  • 4-Bromo-1-Isocyanato-2-(Trifluoromethyl)Benzene
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