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(S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)
SKL667 · BINOL-TF2 · 96.0%(LC) · R-BINOL-TF2 · (R)-(-)-1,1-Bi-2-Naphthol Bis · 1,1'-BIS(2-NAPHTHOL) DITRIFLATE · (R)-(-)-1,1'-BIS(2-NAPHTHOL) DITRIFLATE · (S)-(+)-1,1'-BIS(2-NAPHTHOL) DITRIFLATE
Identifikatoren & physikalische Daten
| CAS No. | 126613-06-7 |
|---|---|
| Summenformel | C22H12F6O6S2 |
| Durchschnittliche Molmasse | 550,5 g/mol |
| Monoisotopische Masse | 549,99794942 g/mol |
| SMILES | O=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F |
| InChIKey | OYJLCOSEYYZULE-UHFFFAOYSA-N |
| PubChem CID | 389883 |
| ChEMBL | CHEMBL1984394 |
| EC No. | 603-149-5 |
| DTXSID | DTXSID10155257 |
Chemische & physikalische Eigenschaften
| XLogP | 7,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 904 |
| Schmelzpunkt | 83-85 °C(lit.) |
| Siedepunkt | 578.8±50.0 °C(Predicted) |
| Dichte | 1.5402 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Powder |
| Farbe | White |
| Löslichkeit | Insoluble |
| BRN | 4282753 |
| InChI | InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H |
| InChIKey | OYJLCOSEYYZULE-UHFFFAOYSA-N |
| SMILES | C1(=C(OS(=O)(=O)C(F)(F)F)C=CC2C=CC=CC1=2)C1C(OS(=O)(=O)C(F)(F)F)=CC=C2C=CC=CC=12 |
| CAS Datenbank | 126613-06-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29072990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
(R)-()-1,1′-Bi-2-naphthol bis(trifluoromethanesulfonate) can be used:In the synthesis of heterobidentate ligands for asymmetric catalysis.To prepare 2-(diphenylphosphino)-2′-alkoxy-1,1′-binaphthyls by reacting with bis(aryl) phosphonic acids.As a starting material for the synthesis of binaphthyl based rhodium catalysts used in the hydrogenation of styrene.