Organofluorine / Alfa Chemistry
S-(trifluoromethyl)-4,4'-dinitrodiphenylsulfonium tetrafluoroborate

S-(trifluoromethyl)-4,4'-dinitrodiphenylsulfonium tetrafluoroborate

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S-(trifluoromethyl)-4,4'-dinitrodiphenylsulfonium tetrafluoroborate
Catalog OFC1092380238
CAS 1092380-23-8
Category Trifluoromethylation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C13H8F3N2O4S.BF4/c14-13(15,16)23(11-5-1-9(2-6-11)17(19)20)12-7-3-10(4-8-12)18(21)22;2-1(3,4)5/h1-8H;/q+1;-1
InChI Key CMMIUTVRXLWLKA-UHFFFAOYSA-N
Canonical SMILES F[B-](F)(F)F.O=[N+]([O-])c1ccc([S+](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1
Molecular Formula C13H8BF7N2O4S
Molecular Weight 432.082
Melting Point 158-160 (dec) °C
Exact Mass 432.0186

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