Organofluorine / Alfa Chemistry
1H-Benzotriazolium, 3-(fluoromethoxy)-1,5-dimethyl-, 1,1,1-trifluoromethanesulfonate

1H-Benzotriazolium, 3-(fluoromethoxy)-1,5-dimethyl-, 1,1,1-trifluoromethanesulfonate

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1H-Benzotriazolium, 3-(fluoromethoxy)-1,5-dimethyl-, 1,1,1-trifluoromethanesulfonate
Catalog OFC2892363298
CAS 2892363-29-8
Category Trifluoromethylthiolation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C9H11FN3O.CHF3O3S/c1-7-3-4-8-9(5-7)13(14-6-10)11-12(8)2;2-1(3,4)8(5,6)7/h3-5H,6H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key NWMASHWPEHTGEX-UHFFFAOYSA-M
Canonical SMILES Cc1ccc2c(c1)n(OCF)n[n+]2C.O=S(=O)([O-])C(F)(F)F
Molecular Formula C10H11F4N3O4S
Molecular Weight 345.274
Melting Point 98 - 99 °C
Appearance off-white solid
Exact Mass 345.0406

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