CAS number:140681-55-6 / 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

• Structure
• CAS number 140681-55-6
• Name 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
• Formula C7H14B2ClF9N2
• Molecular Weight 354.2601
• Synonyms N-Chloromethyl-N'-fluorotriethylenediammonium bis(tetrafluoroborate);Selectfluor fluorinating reagent;F-TEDA-BF4 (Selectfluor)
• ExactMass 354.08900
• EINECS 414-380-4
• 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
• InChIKey PNOJEAGGCNEQDC-UHFFFAOYSA-M
• PSA 0.00000
• LogP 3.24560
• SMILES F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F
• Melting 260?°C(lit.)
• WaterSolubility soluble
• HazardSymbols Xn
• Risks R22; R36/37/38; R41
• Safety 8
• Ridadr UN 3088 4.2/PG 2
• WgkGermany 2
• PackingGroup II
• HazardClass 8
• Customs Code 2933990090
• Safety instructions S26-S36/37/39
• Packaging level II