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

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

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1-(fluoromethoxy)-3-methyl-6-chloro-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate
Catalog OFC2892363312
CAS 2892363-31-2
Category Trifluoromethylthiolation Agents
Synonyms 1H-Benzotriazolium, 5-chloro-3-(fluoromethoxy)-1-methyl-, 1,1,1-trifluoromethanesulfonate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C8H8ClFN3O.CHF3O3S/c1-12-7-3-2-6(9)4-8(7)13(11-12)14-5-10;2-1(3,4)8(5,6)7/h2-4H,5H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key IJJPMMFMXVSNRW-UHFFFAOYSA-M
Canonical SMILES C[n+]1nn(OCF)c2cc(Cl)ccc21.O=S(=O)([O-])C(F)(F)F
Molecular Formula C9H8ClF4N3O4S
Molecular Weight 365.692
Melting Point 109-110 °C
Appearance White crystalline solid
Exact Mass 364.986

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