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CAS 346-44-1

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α,α,α-trifluoro-3-nitro-4-(phenylthio)toluene

Description:
α,α,α-Trifluoro-3-nitro-4-(phenylthio)toluene, with the CAS number 346-44-1, is an organic compound characterized by the presence of trifluoromethyl and nitro functional groups, as well as a phenylthio substituent on a toluene backbone. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can influence its solubility and reactivity. The nitro group introduces a strong electron-withdrawing effect, which can enhance the compound's electrophilic properties. The phenylthio group contributes to the overall stability and can participate in various chemical reactions, including nucleophilic substitutions. In terms of physical properties, such compounds often have moderate to high melting and boiling points, reflecting their molecular weight and intermolecular interactions. Additionally, the presence of fluorine atoms can impart unique characteristics, such as increased chemical stability and altered reactivity compared to non-fluorinated analogs. Overall, α,α,α-trifluoro-3-nitro-4-(phenylthio)toluene is of interest in various fields, including pharmaceuticals and materials science, due to its distinctive chemical properties.
Formula:C13H8F3NO2S
InChI:InChI=1/C13H8F3NO2S/c14-13(15,16)9-6-7-12(11(8-9)17(18)19)20-10-4-2-1-3-5-10/h1-8H
InChI key:InChIKey=UBCNQWMQLBEUOC-UHFFFAOYSA-N
SMILES:S(C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1)C2=CC=CC=C2
Synonyms:
  • (2-Nitro-4-(trifluoromethyl)phenyl)(phenyl)sulfane
  • (2-Nitro-4-(trifluoromethyl)phenyl)phenylthioether
  • 2-Nitro-1-(Phenylsulfanyl)-4-(Trifluoromethyl)Benzene
  • 2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene
  • Benzene, 2-nitro-1-(phenylthio)-4-(trifluoromethyl)-
  • Sulfide, phenyl α,α,α-trifluoro-2-nitro-p-tolyl
  • alpha,alpha,alpha-Trifluoro-3-nitro-4-(phenylthio)toluene
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