Organofluorine / Alfa Chemistry
2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzo[b,d]thiophenium trifluoromethanesulfonate

2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzo[b,d]thiophenium trifluoromethanesulfonate

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2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzo[b,d]thiophenium trifluoromethanesulfonate
Catalog OFC1155774370
CAS 1155774-37-0
Category Trifluoromethylation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C15H11F3NO2S.CHF3O3S/c1-8-5-9(2)14-12(6-8)11-4-3-10(19(20)21)7-13(11)22(14)15(16,17)18;2-1(3,4)8(5,6)7/h3-7H,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key QZWKMMSCCPCFCK-UHFFFAOYSA-M
Canonical SMILES Cc1cc(C)c2c(c1)c1ccc([N+](=O)[O-])cc1[s+]2C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C16H11F6NO5S2
Molecular Weight 475.388
Melting Point 145.8-146.2 °C
Exact Mass 474.9983

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