Trifluoromethanesulfonyl Bromide

• Catalog: OFC15458534
• CAS: 15458-53-4
• Category: Trifluoromethylation Agents
• Synonyms: Triflyl Bromide
• Purity: >95.0%(GC)

• IUPAC Name: trifluoromethanesulfonyl bromide
• InChI: InChI=1S/CBrF3O2S/c2-8(6,7)1(3,4)5
• InChI Key: IMNIECVIVJOTBH-UHFFFAOYSA-N
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)Br
• EC Number: 833-455-6
• Reaxys Registry Number: 2961200

• Molecular Formula: CBrF3O2S
• Molecular Weight: 212.97
• Specific Gravity: 1.98
• Appearance: Colorless to brown clear liquid
• Storage: 0-10 °C; Store under inert gas
• Stability: Moisture sensitive, Heat sensitive

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 211.87545 g/mol
• Monoisotopic Mass: 211.87545 g/mol
• Topological Polar Surface Area: 42.5Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 161

• HS Number: 2904.10.5000