Phenyl Trifluoromethyl Sulfone

• Catalog: OFC426584-2
• CAS: 426-58-4
• Category: Trifluoromethylation Agents
• Synonyms: Trifluoromethylsulfonylbenzene
• Purity: >98.0%(GC)
• MDL Number: MFCD00159083

• IUPAC Name: trifluoromethylsulfonylbenzene
• InChI: InChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
• InChI Key: UPGBQYFXKAKWQC-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F
• EC Number: 811-109-5
• Reaxys Registry Number: 1960949

• Molecular Formula: C7H5F3O2S
• Molecular Weight: 210.17
• Boiling Point: 203 °C
• Flash Point: 101 °C
• Specific Gravity: 1.42
• Refractive Index: 1.46
• Appearance: Colorless to almost colorless clear liquid

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 209.99623506 g/mol
• Monoisotopic Mass: 209.99623506 g/mol
• Topological Polar Surface Area: 42.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 256

• HS Number: 2930.90.2900