Tetrabutylammonium Fluoride Hydrate

• Catalog: OFC22206571
• CAS: 22206-57-1
• Category: Nucleophilic Fluorination Agents
• Synonyms: TBAF Hydrate
• Purity: >98.0%(T)
• MDL Number: MFCD00011747

• IUPAC Name: tetrabutylazanium;fluoride;hydrate
• InChI: InChI=1S/C16H36N.FH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1
• InChI Key: UQCWXKSHRQJGPH-UHFFFAOYSA-M
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
• EC Number: 684-182-2
• Reaxys Registry Number: 3570522

• Molecular Formula: C16H36FN·xH2O
• Molecular Weight: 261.47 (as Anhydrous)
• Melting Point: 62-63 °C
• Appearance: White to almost white powder to crystal
• Storage: Store under inert gas
• Stability: Moisture sensitive

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 279.29374300 g/mol
• Monoisotopic Mass: 279.29374300 g/mol
• Topological Polar Surface Area: 1Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 116

• HS Number: 2923.90.0100