Organofluorine / Alfa Chemistry
1-(difluoromethoxy)-3-methyl-6-nitro-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate

1-(difluoromethoxy)-3-methyl-6-nitro-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate

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1-(difluoromethoxy)-3-methyl-6-nitro-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate
Catalog OFC2287306958
CAS 2287306-95-8
Category Trifluoromethylthiolation Agents
Synonyms 1H-Benzotriazolium, 3-(difluoromethoxy)-1-methyl-5-nitro-, 1,1,1-trifluoromethanesulfonate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C8H7F2N4O3.CHF3O3S/c1-12-6-3-2-5(14(15)16)4-7(6)13(11-12)17-8(9)10;2-1(3,4)8(5,6)7/h2-4,8H,1H3;(H,5,6,7)/q+1;/p-1
InChI Key USHJHHBRVBFLAW-UHFFFAOYSA-M
Canonical SMILES C[n+]1nn(OC(F)F)c2cc([N+](=O)[O-])ccc21.O=S(=O)([O-])C(F)(F)F
Molecular Formula C9H7F5N4O6S
Molecular Weight 394.234
Appearance White solid
Exact Mass 394.0006

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