Hexafluoroisopropyltrifluoromethanesulfonate

• Catalog: OFC156241417-1
• CAS: 156241-41-7
• Category: Trifluoromethylation Agents
• Synonyms: Trifluoromethanesulfonic Acid 1,1,1,3,3,3-Hexafluoroisopropyl Ester; 1,1,1,3,3,3-Hexafluoroisopropyl Triflate
• Purity: >97%
• MDL Number: MFCD02093340

• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl trifluoromethanesulfonate
• InChI: InChI=1S/C4HF9O3S/c5-2(6,7)1(3(8,9)10)16-17(14,15)4(11,12)13/h1H
• InChI Key: NRHQWNHARTXNOE-UHFFFAOYSA-N
• Isomeric SMILES: C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C(F)(F)F
• EC Number: 674-870-0
• Reaxys Registry Number: 5064178

• Molecular Formula: C4HF9O3S
• Molecular Weight: 300.10
• Specific Gravity: 1.67
• Appearance: Colorless to almost colorless clear liquid
• Storage: Keep in dark place, inert atmosphere, room temperature
• Stability: Moisture sensitive

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 299.95026852 g/mol
• Monoisotopic Mass: 299.95026852 g/mol
• Topological Polar Surface Area: 51.8Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 340

• HS Number: 2904.99.5000