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CAS 58417-15-5

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1-(difluoromethoxy)-4-isocyanatobenzene

Description:
1-(Difluoromethoxy)-4-isocyanatobenzene, with the CAS number 58417-15-5, is an organic compound characterized by the presence of both isocyanate and difluoromethoxy functional groups. This compound features a benzene ring substituted at the para position with an isocyanate group (-N=C=O) and a difluoromethoxy group (-O-CH2-DF), where DF denotes the presence of two fluorine atoms attached to a methylene carbon. The isocyanate group is known for its reactivity, particularly in forming urethanes and other derivatives through nucleophilic addition reactions. The difluoromethoxy group enhances the compound's polarity and may influence its solubility and reactivity. This compound is of interest in various fields, including materials science and medicinal chemistry, due to its potential applications in the synthesis of polymers and pharmaceuticals. Safety precautions should be taken when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation. Overall, 1-(difluoromethoxy)-4-isocyanatobenzene is a valuable compound for research and industrial applications.
Formula:C8H5F2NO2
InChI:InChI=1/C8H5F2NO2/c9-8(10)13-7-3-1-6(2-4-7)11-5-12/h1-4,8H
SMILES:c1cc(ccc1N=C=O)OC(F)F
Synonyms:
  • Benzene, 1-(Difluoromethoxy)-4-Isocyanato-
  • Difluoromethyl 4-Isocyanatophenyl Ether
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