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CAS 50528-86-4

:

1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene

Description:
1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene, with the CAS number 50528-86-4, is an organic compound characterized by the presence of a chloro group, an isocyanate functional group, and a trifluoromethyl substituent on a benzene ring. 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 due to the isocyanate group, which can participate in various chemical reactions, including nucleophilic addition and polymerization. The trifluoromethyl group enhances its lipophilicity and can influence its biological activity and environmental persistence. Additionally, the presence of chlorine may impart certain toxicological properties, making it important to handle this compound with care. Its applications may include use in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. As with many isocyanates, it is essential to consider safety measures due to potential health hazards associated with exposure.
Formula:C8H3ClF3NO
InChI:InChI=1S/C8H3ClF3NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChI key:InChIKey=WEPYOPYMWSHRIW-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(N=C=O)=C(Cl)C=C1
Synonyms:
  • 2-Chloro-1-isocyanato-5-trifluoromethyl-benzene
  • 6-Chloro-α,α,α-trifluoro-m-tolyl isocyanate
  • 1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene
  • 2-Chloro-5-(trifluoromethyl)phenyl isocyanate
  • Benzene, 1-chloro-2-isocyanato-4-(trifluoromethyl)-
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