(S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)

HCID 389883CAS 126613-06-7

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Grundinformationen

Standard-SMILES: O=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F
InChIKey: OYJLCOSEYYZULE-UHFFFAOYSA-N
Summenformel: C22H12F6O6S2
Durchschnittliche Molmasse: 550,5 g/mol
Monoisotopische Masse: 549,99794942

Namen und Bezeichner

Bevorzugter Name: (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)
IUPAC: [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
Englischer Name: (R)-(-)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate)
Summenformel: C22H12F6O6S2
Molmasse: 550.45

Namen und Synonyme

1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)(S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)2,2'-bis(trifluoromethanesulfonyloxy)-1,1'-binaphthylRefChem:407576603-279-2603-283-4126613-06-7128544-05-8128575-34-8(R)-[1,1'-Binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate)(S)-[1,1'-Binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate)(R)-(-)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)

Weitere Namen anzeigen

SKL667BINOL-TF296.0%(LC)R-BINOL-TF2(R)-(-)-1,1-Bi-2-Naphthol Bis1,1'-BIS(2-NAPHTHOL) DITRIFLATE(R)-(-)-1,1'-BIS(2-NAPHTHOL) DITRIFLATE(S)-(+)-1,1'-BIS(2-NAPHTHOL) DITRIFLATE1,1-BI-2-NAPHTHOL BIS(TRIFLUOROMETHANESULFONATE)bis(trifluoromethanesulfonate) (R)-(-)-BINOL-TF2

MFCD00274615(R)-(-)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate)[1,1'-binaphthalene]-2,2'-diyl bis(trifluoromethanesulfonate)(S)-[1,1-Binaphthalene]-2,2-diyl bis(trifluoromethanesulfonate)[1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonateNSC686511NSC 686511(S)-(+)-1,1'-Binaphthyl-2,2'-diyl Bis(trifluoromethanesulfonate)

Datenbank-Bezeichner

CAS: 126613-06-7、128544-05-8、128575-34-8
PubChem CID: 389883
DTXSID: DTXSID10155257
ChEMBL: CHEMBL1984394
EC Number: 603-149-5、603-279-2、603-283-4
Nikkaji: J2.180.083J、J3.596.333B、J483.724J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,6
Polarare Oberfläche (TPSA): 104 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 5
Schwere Atome: 36
Formalladung: 0
Komplexität: 904

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-85 °C(lit.)
Siedepunkt: 578.8 · 578.8±50.0 °C(Predicted)
Dichte: 1.5402 · 1.5402 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: Insoluble
BRN: 4282753 · 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 · 126613-06-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (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.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Gefahrenhinweise

Hazard Classes and Categories · 3 Einträge

Skin Corr. 1B (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29072990
risk_code: 34
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

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.