Organofluorine / Alfa Chemistry
1H-Benzotriazolium, 3-(fluoromethoxy)-1-methyl-5-nitro-, 1,1,1-trifluoromethanesulfonate

1H-Benzotriazolium, 3-(fluoromethoxy)-1-methyl-5-nitro-, 1,1,1-trifluoromethanesulfonate

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1H-Benzotriazolium, 3-(fluoromethoxy)-1-methyl-5-nitro-, 1,1,1-trifluoromethanesulfonate
Catalog OFC2892363378
CAS 2892363-37-8
Category Trifluoromethylthiolation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C8H8FN4O3.CHF3O3S/c1-11-7-3-2-6(13(14)15)4-8(7)12(10-11)16-5-9;2-1(3,4)8(5,6)7/h2-4H,5H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key IKFYWAURKMUUMJ-UHFFFAOYSA-M
Canonical SMILES C[n+]1nn(OCF)c2cc([N+](=O)[O-])ccc21.O=S(=O)([O-])C(F)(F)F
Molecular Formula C9H8F4N4O6S
Molecular Weight 376.244
Melting Point 151-152 °C
Appearance pale-yellow solid
Exact Mass 376.0101

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