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CAS 393-76-0

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4-Fluoro-3,5-dinitrobenzotrifluoride

Description:
4-Fluoro-3,5-dinitrobenzotrifluoride, with the CAS number 393-76-0, is an aromatic compound characterized by the presence of multiple functional groups. It features a benzene ring substituted with three fluorine atoms and two nitro groups, which significantly influence its chemical properties. The presence of the trifluoromethyl group enhances its lipophilicity and stability, while the nitro groups contribute to its reactivity and potential as an electrophile. This compound is typically a solid at room temperature and exhibits a high degree of thermal stability. Its polar nature, due to the electronegative fluorine and nitro groups, makes it soluble in polar organic solvents. 4-Fluoro-3,5-dinitrobenzotrifluoride is often used in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. However, due to the presence of nitro groups, it may also pose environmental and health risks, necessitating careful handling and disposal. Overall, its unique structure and properties make it a valuable compound in chemical research and industrial applications.
Formula:C7H2F4N2O4
InChI:InChI=1S/C7H2F4N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
InChI key:InChIKey=NVHWZCIXUHFQGS-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(F)C(N(=O)=O)=CC(C(F)(F)F)=C1
Synonyms:
  • 3,5-Dinitro-4-fluorobenzotrifluoride
  • 4-Fluoro-3,5-dinitrobenzotrifluoride
  • Benzene, 2-fluoro-1,3-dinitro-5-(trifluoromethyl)-
  • Toluene, α,α,α,4-tetrafluoro-3,5-dinitro-
  • 2-Fluoro-1,3-dinitro-5-(trifluoromethyl)benzene
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