N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate)

• Catalog: OFC140681556-1
• CAS: 140681-55-6
• Category: Electrophilic Fluorination Agents
• Synonyms: 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate); F-TEDA-BF4
• Purity: >95.0%(T)
• MDL Number: MFCD00142607

• IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
• InChI: InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1
• InChI Key: TXRPHPUGYLSHCX-UHFFFAOYSA-N
• Isomeric SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
• EC Number: 414-380-4
• Reaxys Registry Number: 5368649

• Molecular Formula: C7H14B2ClF9N2
• Molecular Weight: 354.26
• Melting Point: 175 °C
• Appearance: White to light yellow powder to crystal
• Solubility: Soluble in water
• Storage: Store under inert gas
• Stability: Moisture sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 1
• Exact Mass: 354.0887899 g/mol
• Monoisotopic Mass: 354.0887899 g/mol
• Topological Polar Surface Area: 0Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 168