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

S-Bromodifluoromethyl-S-phenyl-2,3,4,5-tetramethylphenylsulfonium triflate

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S-Bromodifluoromethyl-S-phenyl-2,3,4,5-tetramethylphenylsulfonium triflate
Catalog OFC1395062131
CAS 1395062-13-1
Category Difluoromethylation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C17H18BrF2S.CHF3O3S/c1-11-10-16(14(4)13(3)12(11)2)21(17(18,19)20)15-8-6-5-7-9-15;2-1(3,4)8(5,6)7/h5-10H,1-4H3;(H,5,6,7)/q+1;/p-1
InChI Key BOFWOKOKJUJHGE-UHFFFAOYSA-M
Canonical SMILES Cc1cc([S+](c2ccccc2)C(F)(F)Br)c(C)c(C)c1C.O=S(=O)([O-])C(F)(F)F
Molecular Formula C18H18BrF5O3S2
Molecular Weight 521.367
Melting Point 150-151 °C
Appearance white solid
Exact Mass 519.9801

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