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

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

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1-fluoro-4-methyl-1,4-diazoniabicyclo [2,2,2]octane ditriflate
Catalog OFC140681443
CAS 140681-44-3
Category Other Fluorinated Group Introducing Agents
Synonyms 1-fluoro-4-methyl-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoro-methanesulfonate)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C7H15FN2.2CHF3O3S/c1-9-2-5-10(8,6-3-9)7-4-9;2*2-1(3,4)8(5,6)7/h2-7H2,1H3;2*(H,5,6,7)/q+2;;/p-2
InChI Key DEBZBSFKWQUJFQ-UHFFFAOYSA-L
Canonical SMILES C[N+]12CC[N+](F)(CC1)CC2.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C9H15F7N2O6S2
Molecular Weight 444.347
Melting Point 220-222 °C
Appearance white
Exact Mass 444.026

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