Organofluorine / Alfa Chemistry
1-(fluoromethoxy)-3,5-dimethyl-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate

1-(fluoromethoxy)-3,5-dimethyl-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate

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1-(fluoromethoxy)-3,5-dimethyl-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate
Catalog OFC2924389546
CAS 2924389-54-6
Category Trifluoromethylthiolation Agents
Synonyms 1H-Benzotriazolium, 3-(fluoromethoxy)-1,6-dimethyl-, 1,1,1-trifluoromethanesulfonate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C9H11FN3O.CHF3O3S/c1-7-3-4-8-9(5-7)12(2)11-13(8)14-6-10;2-1(3,4)8(5,6)7/h3-5H,6H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key YHRYEAPHTIUWEU-UHFFFAOYSA-M
Canonical SMILES Cc1ccc2c(c1)[n+](C)nn2OCF.O=S(=O)([O-])C(F)(F)F
Molecular Formula C10H11F4N3O4S
Molecular Weight 345.274
Melting Point 139-140 °C
Appearance Off-white crystalline solid
Exact Mass 345.0406

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