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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