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CAS 16588-70-8

:

1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene

Description:
1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene, with the CAS number 16588-70-8, is an organic compound characterized by the presence of an isocyanate functional group, a nitro group, and a trifluoromethyl substituent on a benzene ring. This compound typically exhibits a pale yellow to brownish color and is known for its reactivity, particularly due to the isocyanate group, which can participate in nucleophilic addition reactions. The trifluoromethyl group contributes to its lipophilicity and can influence its electronic properties, making it a useful intermediate in the synthesis of various pharmaceuticals and agrochemicals. Additionally, the nitro group can enhance the compound's electrophilicity, further expanding its potential applications in organic synthesis. Due to the presence of both isocyanate and nitro functionalities, this compound may pose health and environmental hazards, necessitating careful handling and appropriate safety measures during its use in laboratory or industrial settings.
Formula:C8H3F3N2O3
InChI:InChI=1S/C8H3F3N2O3/c9-8(10,11)5-1-2-6(12-4-14)7(3-5)13(15)16/h1-3H
InChI key:InChIKey=RTGZAHNHYOUVQA-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(N=C=O)C=CC(C(F)(F)F)=C1
Synonyms:
  • 1-Isocyanato-2-Nitro-4-(Trifluoromethyl)Benzene
  • 2-Nitro-4-(trifluoromethyl)phenyl isocyanate
  • Benzene, 1-isocyanato-2-nitro-4-(trifluoromethyl)-
  • Isocyanic acid, α,α,α-trifluoro-2-nitro-p-tolyl ester
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