Organofluorine / Alfa Chemistry
N,N-(dimethylamino)-S-phenyl-S-bromodifluoromethyloxosulfonium trifluoromethanesulfonate

N,N-(dimethylamino)-S-phenyl-S-bromodifluoromethyloxosulfonium trifluoromethanesulfonate

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N,N-(dimethylamino)-S-phenyl-S-bromodifluoromethyloxosulfonium trifluoromethanesulfonate
Catalog OFC1334160369
CAS 1334160-36-9
Category Difluoromethylation Agents
Synonyms Methanaminium, N-[(bromodifluoromethyl)oxidophenyl-λ4-sulfanylidene]-N-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C9H11BrF2NOS.CHF3O3S/c1-13(2)15(14,9(10,11)12)8-6-4-3-5-7-8;2-1(3,4)8(5,6)7/h3-7H,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key URMAJYHPBDQJJO-UHFFFAOYSA-M
Canonical SMILES C[N+](C)=S(=O)(c1ccccc1)C(F)(F)Br.O=S(=O)([O-])C(F)(F)F
Molecular Formula C10H11BrF5NO4S2
Molecular Weight 448.229
Appearance Colorless oil
Exact Mass 446.9233

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