Organofluorine / Alfa Chemistry
S-Bromodifluoromethyl-S-o-bromophenyl-2,3,4,5-tetramethylphenylsulfonium triflate

S-Bromodifluoromethyl-S-o-bromophenyl-2,3,4,5-tetramethylphenylsulfonium triflate

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S-Bromodifluoromethyl-S-o-bromophenyl-2,3,4,5-tetramethylphenylsulfonium triflate
Catalog OFC1395062288
CAS 1395062-28-8
Category Difluoromethylation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C17H17Br2F2S.CHF3O3S/c1-10-9-16(13(4)12(3)11(10)2)22(17(19,20)21)15-8-6-5-7-14(15)18;2-1(3,4)8(5,6)7/h5-9H,1-4H3;(H,5,6,7)/q+1;/p-1
InChI Key MCBWACKBMPRNAQ-UHFFFAOYSA-M
Canonical SMILES Cc1cc([S+](c2ccccc2Br)C(F)(F)Br)c(C)c(C)c1C.O=S(=O)([O-])C(F)(F)F
Molecular Formula C18H17Br2F5O3S2
Molecular Weight 600.263
Melting Point 143-147 °C
Appearance white solid
Exact Mass 597.8906

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