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CAS 654-55-7

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2-Chloro-1-nitro-3,5-bis(trifluoromethyl)benzene

Description:
2-Chloro-1-nitro-3,5-bis(trifluoromethyl)benzene, with the CAS number 654-55-7, is an aromatic compound characterized by the presence of a chlorine atom, a nitro group, and two trifluoromethyl groups attached to a benzene ring. This compound exhibits a pale yellow to light brown appearance and is typically solid at room temperature. It is known for its high stability due to the resonance of the aromatic system and the electron-withdrawing effects of the trifluoromethyl groups, which enhance its reactivity in electrophilic substitution reactions. The nitro group contributes to its polarity and potential as a synthetic intermediate in organic chemistry. Additionally, the presence of chlorine and trifluoromethyl groups can influence its solubility in organic solvents and its behavior in various chemical reactions. Due to its unique structure, this compound may find applications in agrochemicals, pharmaceuticals, or as a building block in the synthesis of more complex molecules. However, handling should be done with care due to potential toxicity and environmental concerns associated with halogenated compounds.
Formula:C8H2ClF6NO2
InChI:InChI=1S/C8H2ClF6NO2/c9-6-4(8(13,14)15)1-3(7(10,11)12)2-5(6)16(17)18/h1-2H
InChI key:InChIKey=OCRFDZOBCZLPRB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(Cl)C(N(=O)=O)=CC(C(F)(F)F)=C1
Synonyms:
  • 1-Chloro-2-nitro-4,6-bis(trifluoromethyl)benzene
  • 2-Chloro-1-Nitro-3,5-Bis(Trifluoromethyl)Benzene
  • 3,5-Bis(trifluoromethyl)-2-chloronitrobenzene
  • 4-Chloro-5-nitro-α<sup>1</sup>,α<sup>1</sup>,α<sup>1</sup>,α<sup>3</sup>,α<sup>3</sup>,α<sup>3</sup>-hexafluoro-m-xylene
  • Benzene, 2-chloro-1-nitro-3,5-bis(trifluoromethyl)-
  • m-Xylene, 4-chloro-α,α,α,α′,α′,α′-hexafluoro-5-nitro-
  • 4-Chloro-5-nitro-α1,α1,α1,α3,α3,α3-hexafluoro-m-xylene
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