1-{Bis[(Trifluoromethyl)Sulfonyl]Methyl}-2,3,4,5,6-Pentafluorobenzene
[CAS# 405074-81-9]

Identification

• Name: 1-{Bis[(Trifluoromethyl)Sulfonyl]Methyl}-2,3,4,5,6-Pentafluorobenzene
• Synonyms: 1-(Bis-trifluoromethanesulfonyl-methyl)-2,3,4,5,6-pentafluoro-benzene; 1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene; pentafluorophenylbis(triflyl)methane
• Molecular Formula: C₉HF₁₁O₄S₂
• Molecular Weight: 446.21
• CAS Registry Number: 405074-81-9
• SMILES: Fc1c(c(F)c(F)c(F)c1F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• InChI: 1S/C9HF11O4S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(25(21,22)8(15,16)17)26(23,24)9(18,19)20/h7H
• InChIKey: RLLDXJXYMKTGPV-UHFFFAOYSA-N

Properties

• Density: 1.896g/cm³ (Cal.)
• Melting point: 89°C (Expl.)
• Boiling point: 381.965°C at 760 mmHg (Cal.)
• Flash point: 184.806°C (Cal.)
• Refractive index: 1.42 (Cal.)

References

• (1): Cheol Hong Cheon and Hisashi Yamamoto. Super Brønsted acid catalysis, Chem. Commun., 2011, 47, 3043.