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CAS 401-99-0

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3,5-Dinitrobenzotrifluoride

Description:
3,5-Dinitrobenzotrifluoride, with the CAS number 401-99-0, is an aromatic compound characterized by the presence of both nitro and trifluoromethyl groups attached to a benzene ring. This compound features two nitro groups located at the 3 and 5 positions relative to the trifluoromethyl group, which is situated at the 1 position. The presence of these electronegative groups significantly influences its chemical properties, making it a highly polar and potentially reactive substance. 3,5-Dinitrobenzotrifluoride is typically a solid at room temperature and may exhibit a yellow to orange coloration. It is known for its applications in organic synthesis, particularly in the production of various fluorinated compounds and as an intermediate in the manufacture of agrochemicals and pharmaceuticals. Due to the presence of nitro groups, it may also possess explosive properties under certain conditions, necessitating careful handling and storage. Additionally, its environmental persistence and potential toxicity warrant attention in terms of safety and regulatory considerations.
Formula:C7H3F3N2O4
InChI:InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChI key:InChIKey=QZADIXWDDVQVKM-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1
Synonyms:
  • 1,3-Dinitro-5-(trifluoromethyl)-benzene
  • 1-Trifluoromethyl-3,5-dinitrobenzene
  • 2,4-Dinitro-1-(Trifluoromethyl)Benzene
  • 2-Chloro-1-Nitro-4-(Trifluoromethyl)Benzene
  • 3,5-Dinitro benzotrifluoride
  • 3,5-Dinitro-1-(trifluoromethyl)benzene
  • 3,5-Dinitro-α,α,α-trifluorotoluene
  • 3,5-Dinitrobenzotrifluoride
  • Benzene, 1,3-dinitro-5-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-3,5-dinitro-
  • α,α,α-Trifluoro-3,5-dinitrotoluene
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