Organofluorine / Alfa Chemistry
(S)-N-fluoro-{3,3-bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl}-2,2-disulfonimide

(S)-N-fluoro-{3,3-bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl}-2,2-disulfonimide

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(S)-N-fluoro-{3,3-bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl}-2,2-disulfonimide
Catalog OFC1384452612
CAS 1384452-61-2
Category Trifluoromethylation Agents
Synonyms 2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-fluoro-4H-3,5-dithia-4-aza-3H-cyclohepta[2,1-a:3,4-a']dinaphthalene 3,3,5,5-tetraoxide
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C36H16F13NO4S2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)56(53,54)50(49)55(51,52)31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16H
InChI Key WABUBAMFHAEZLJ-UHFFFAOYSA-N
Canonical SMILES O=S1(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c(c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc23)S(=O)(=O)N1F
Molecular Formula C36H16F13NO4S2
Molecular Weight 837.635
Boiling Point 782.3 °C
Density 1.72 g/cm3
Exact Mass 837.0313

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