Organofluorine / Alfa Chemistry
1-Ethyl-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane ditriflate

1-Ethyl-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane ditriflate

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1-Ethyl-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane ditriflate
Catalog OFC140681476
CAS 140681-47-6
Category Other Fluorinated Group Introducing Agents
Synonyms 1,4-Diazoniabicyclo[2.2.2]octane, 1-ethyl-4-fluoro-, 1,1,1-trifluoromethanesulfonate (1:2)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C8H17FN2.2CHF3O3S/c1-2-10-3-6-11(9,7-4-10)8-5-10;2*2-1(3,4)8(5,6)7/h2-8H2,1H3;2*(H,5,6,7)/q+2;;/p-2
InChI Key XRHAWRZPRKPZQY-UHFFFAOYSA-L
Canonical SMILES CC[N+]12CC[N+](F)(CC1)CC2.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C10H17F7N2O6S2
Molecular Weight 458.374
Melting Point 216-218 °C
Exact Mass 458.0416

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