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CAS 302912-19-2

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3-fluoro-5-(trifluoromethyl)phenyl isocyanate

Description:
3-Fluoro-5-(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 has both a fluorine atom and a trifluoromethyl group (-CF3) as substituents. This compound typically exhibits a high degree of reactivity due to the isocyanate group, making it useful in various chemical synthesis applications, particularly in the production of pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its biological activity. Additionally, the fluorine substituents can impart unique electronic properties, affecting the compound's stability and reactivity. As with many isocyanates, it is important to handle this substance with care due to its potential toxicity and irritant properties. Proper safety measures, including the use of personal protective equipment and adequate ventilation, are essential when working with this compound in a laboratory setting.
Formula:C8H3F4NO
InChI:InChI=1/C8H3F4NO/c9-6-1-5(8(10,11)12)2-7(3-6)13-4-14/h1-3H
SMILES:c1c(cc(cc1F)N=C=O)C(F)(F)F
Synonyms:
  • 1-Fluoro-3-Isocyanato-5-(Trifluoromethyl)Benzene
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