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Merck
CN

25140

1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

purum, ≥97.0% (NMR)

Synonym(s):

N-Chloromethyl-N′-fluorotriethylenediammonium bis(tetrafluoroborate), F-TEDA

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About This Item

Empirical Formula (Hill Notation):
C7H14B2ClF9N2
CAS Number:
140681-55-6
Molecular Weight:
354.26
PubChem Substance ID:
329752779
UNSPSC Code:
12352101
Beilstein/REAXYS Number:
5368649
MDL number:
MFCD00142607

Key Documents

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SMILES string

F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2

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

grade

purum

assay

≥97.0% (NMR)

technique(s)

NMR: suitable (19F-, 1H-NMR)

mp

260 °C (lit.)

storage temp.

2-8°C

Other Notes

Reagent for electrophilic fluorination ; Selective oxidizing agent

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 2

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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L.G. Sankar
The Journal of Organic Chemistry, 58, 2791-2791 (1993)
D.P. Matthews et al.
Tetrahedron Letters, 34, 3057-3057 (1993)
R.E. Banks et al.
Journal of the Chemical Society. Chemical Communications, 343-343 (1994)
R.E. Banks et al.
Synlett, 831-831 (1994)

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