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

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

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1-(difluoromethoxy)-3-methyl-6-(methylsulfonyl)-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate
Catalog OFC2287306970
CAS 2287306-97-0
Category Trifluoromethylthiolation Agents
Synonyms 1H-Benzotriazolium, 3-(difluoromethoxy)-1-methyl-5-(methylsulfonyl)-, 1,1,1-trifluoromethanesulfonate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C9H10F2N3O3S.CHF3O3S/c1-13-7-4-3-6(18(2,15)16)5-8(7)14(12-13)17-9(10)11;2-1(3,4)8(5,6)7/h3-5,9H,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key KTPITTSDNZTFAD-UHFFFAOYSA-M
Canonical SMILES C[n+]1nn(OC(F)F)c2cc(S(C)(=O)=O)ccc21.O=S(=O)([O-])C(F)(F)F
Molecular Formula C10H10F5N3O6S2
Molecular Weight 427.329
Appearance White solid
Exact Mass 426.9931

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