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CAS 1227600-54-5

:

1-[2-Nitro-6-(trifluoromethyl)phenyl]ethanone

Description:
1-[2-Nitro-6-(trifluoromethyl)phenyl]ethanone, identified by its CAS number 1227600-54-5, is an organic compound characterized by its unique functional groups and structural features. This substance contains a phenyl ring substituted with a nitro group and a trifluoromethyl group, which significantly influence its chemical reactivity and physical properties. The presence of the nitro group typically imparts electron-withdrawing characteristics, enhancing the compound's electrophilicity, while the trifluoromethyl group can increase lipophilicity and stability against oxidation. As a ketone, it features a carbonyl group (C=O) that is pivotal in various chemical reactions, including nucleophilic additions. The compound is likely to exhibit moderate to high polarity due to the electronegative substituents, affecting its solubility in different solvents. Additionally, its potential applications may span across fields such as pharmaceuticals, agrochemicals, and materials science, where such substituted aromatic compounds are often utilized for their biological activity or as intermediates in synthesis. Safety and handling precautions should be observed due to the presence of the nitro group, which can pose hazards.
Formula:C9H6F3NO3
InChI:InChI=1S/C9H6F3NO3/c1-5(14)8-6(9(10,11)12)3-2-4-7(8)13(15)16/h2-4H,1H3
InChI key:InChIKey=LCXRHTVTVGRVAK-UHFFFAOYSA-N
SMILES:C(C)(=O)C1=C(C(F)(F)F)C=CC=C1N(=O)=O
Synonyms:
  • 1-[2-Nitro-6-(trifluoromethyl)phenyl]ethanone
  • Ethanone, 1-[2-nitro-6-(trifluoromethyl)phenyl]-
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