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

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

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1-(fluoromethoxy)-3-methyl-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate
Catalog OFC2892363276
CAS 2892363-27-6
Category Trifluoromethylthiolation Agents
Synonyms 1H-Benzotriazolium, 3-(fluoromethoxy)-1-methyl-, 1,1,1-trifluoromethanesulfonate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C8H9FN3O.CHF3O3S/c1-11-7-4-2-3-5-8(7)12(10-11)13-6-9;2-1(3,4)8(5,6)7/h2-5H,6H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key SWELKHHICJCPOW-UHFFFAOYSA-M
Canonical SMILES C[n+]1nn(OCF)c2ccccc21.O=S(=O)([O-])C(F)(F)F
Molecular Formula C9H9F4N3O4S
Molecular Weight 331.247
Melting Point 129-130 °C
Appearance White crystalline solid
Exact Mass 331.025

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