Trimethylsilyl Difluoro(fluorosulfonyl)acetate

• Catalog: OFC120801754
• CAS: 120801-75-4
• Category: Difluoromethylation Agents
• Synonyms: Difluoro(fluorosulfonyl)acetic Acid Trimethylsilyl Ester; TFDA
• Purity: >96.0%(GC)
• MDL Number: MFCD02093343

• IUPAC Name: trimethylsilyl 2,2-difluoro-2-fluorosulfonylacetate
• InChI: InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3
• InChI Key: XHVSCKNABCCCAC-UHFFFAOYSA-N
• Isomeric SMILES: C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F
• Reaxys Registry Number: 6400119

• Molecular Formula: C5H9F3O4SSi
• Molecular Weight: 250.26
• Boiling Point: 86 °C (46 mmHg)
• Flash Point: 26 °C
• Specific Gravity: 1.25
• Refractive Index: 1.37
• Appearance: Colorless to almost colorless clear liquid
• Storage: 0-10 °C; Store under inert gas
• Stability: Moisture sensitive; Heat sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 249.99429096 g/mol
• Monoisotopic Mass: 249.99429096 g/mol
• Topological Polar Surface Area: 68.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 326

• HS Number: 2931.90.9010