CAS 126613-06-7 (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate) (HCID 389883)

Names & identifiers

Preferred name: (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)
IUPAC: [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
English name: (R)-(-)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate)
Molecular formula: C22H12F6O6S2
Molecular weight: 550.45

Names & synonyms

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)

Show more names

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)

Database identifiers

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

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 104 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 5
Heavy atoms: 36
Formal charge: 0
Complexity: 904

Physicochemical properties

Melting point: 83 · 83-85 °C(lit.)
alpha: -149 · -149 º (c=1, CHCl3)
Boiling point: 578.8 · 578.8±50.0 °C(Predicted)
Density: 1.5402 · 1.5402 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Powder
color: White
optical activity: 23 · [α]23/D 146°, c = 1 in chloroform
Water Solubility: Insoluble
Sensitive: moisture sensitive
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 DataBase Reference: 126613 · 126613-06-7(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29072990 · 29072990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

Hazard Classes and Categories · 3 items

Skin Corr. 1B (100%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29072990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications · 1 item

Uses(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.