2,2,2-Trifluoroethyl methanesulfonate

• Catalog: OFC25236640-2
• CAS: 25236-64-0
• Category: Perfluoroalkylation Agents
• Synonyms: 2,2,2-Trifluoro-ethanol 1-methanesulfonate
• Purity: 98%
• MDL Number: MFCD00025058

• IUPAC Name: 2,2,2-trifluoroethyl methanesulfonate
• InChI: InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
• InChI Key: ICECLJDLAVVEOW-UHFFFAOYSA-N
• Isomeric SMILES: CS(=O)(=O)OCC(F)(F)F
• Reaxys Registry Number: 1863049

• Molecular Formula: C3H5F3O3S
• Molecular Weight: 178.13
• Boiling Point: 99 °C (35mmHg)
• Density: 1.513 g/mL at 20 °C(lit.)
• Specific Gravity: 1.520
• Refractive Index: 1.37
• Appearance: Colorless to light yellow
• Storage: Keep in dark place, inert atmosphere, 2-8°C
• Stability: Hygroscopic

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 177.99114968 g/mol
• Monoisotopic Mass: 177.99114968 g/mol
• Topological Polar Surface Area: 51.8Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 186

• HS Number: 29055900