[Bis(trifluoroacetoxy)iodo]pentafluorobenzene

• Catalog: OFC14353889-3
• CAS: 14353-88-9
• Category: Trifluoromethylation Agents
• Synonyms: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene; FPIFA
• Purity: >97.0%(T)
• MDL Number: MFCD00191612

• IUPAC Name: [(2,3,4,5,6-pentafluorophenyl)-(2,2,2-trifluoroacetyl)oxy-lambda3-iodanyl] 2,2,2-trifluoroacetate
• InChI: InChI=1S/C10F11IO4/c11-1-2(12)4(14)6(5(15)3(1)13)22(25-7(23)9(16,17)18)26-8(24)10(19,20)21
• InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N
• Isomeric SMILES: C1(=C(C(=C(C(=C1F)F)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)F)F)F
• Canonical SMILES: O=C(C(F)(F)F)O[I](c1c(F)c(F)c(c(c1F)F)F)OC(=O)C(F)(F)F
• EC Number: 623-272-8
• Reaxys Registry Number: 2030069

• Molecular Formula: C10F11IO4
• Molecular Weight: 519.99
• Melting Point: 118.0-122.0 °C
• Appearance: White to almost white powder to crystal
• Solubility: Soluble in methanol
• Storage: Store under inert gas
• Stability: Light sensitive, Air sensitive

• XLogP3-AA: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 519.86657 g/mol
• Monoisotopic Mass: 519.86657 g/mol
• Topological Polar Surface Area: 52.6Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 494

• HS Number: 2917.39.7000