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CAS 39479-97-5

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3-Chloro-4-(difluoromethoxy)phenyl isocyanate

Description:
3-Chloro-4-(difluoromethoxy)phenyl isocyanate, with the CAS number 39479-97-5, is an organic compound characterized by its isocyanate functional group (-N=C=O) attached to a phenyl ring that also contains a chlorine atom and a difluoromethoxy group. 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 in forming urethanes and other derivatives through nucleophilic addition reactions with amines and alcohols. The presence of the difluoromethoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the chlorine atom can impart unique electronic properties, affecting the compound's reactivity and stability. As with many isocyanates, it is important to handle this substance with care due to its potential toxicity and irritant properties, particularly to the respiratory system and skin. Proper safety protocols should be followed when working with this chemical.
Formula:C8H4ClF2NO2
InChI:InChI=1/C8H4ClF2NO2/c9-6-3-5(12-4-13)1-2-7(6)14-8(10)11/h1-3,8H
SMILES:c1cc(c(cc1N=C=O)Cl)OC(F)F
Synonyms:
  • 2-Chloro-1-(Difluoromethoxy)-4-Isocyanatobenzene
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