(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl

HCID 4189906CAS 100165-88-6

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Grundinformationen

Standard-SMILES: Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1
InChIKey: IOPQYDKQISFMJI-UHFFFAOYSA-N
Summenformel: C48H40P2
Durchschnittliche Molmasse: 678,8 g/mol
Monoisotopische Masse: 678,26052454

Namen und Bezeichner

Bevorzugter Name: (S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl
IUPAC: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane
Englischer Name: (S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL
Summenformel: C48H40P2
Molmasse: 678.78

Namen und Synonyme

100165-88-62,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl153305-67-0RefChem:407671(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl623-900-0680-944-399646-28-3(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl(R)-Tol-BINAP(S)-Tol-BINAP(S)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL

Weitere Namen anzeigen

(S)-T-BINAP(S)-(−(S)-4-Me-BINAP98% (S)-TolBINAP(S)-T-BINAP(S)-(-)-2,2'-Bis(di-p-toLBis(diphenylphosphinothiazide)BisdiptolylphosphinobinaphthylSTolBI

(R)-(+)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl(R)-(+)-TolBINAP(R)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthaleneMFCD01311709[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphaneR-tol-BinapS-tol-Binap(S)-Tol BINAP

Datenbank-Bezeichner

CAS: 100165-88-6、153305-67-0、99646-28-3
PubChem CID: 4189906
DTXSID: DTXSID501379641
EC Number: 623-900-0、677-521-0、680-944-3
Nikkaji: J1.058.034J、J1.783.418E、J134.981C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 12,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 7
Schwere Atome: 50
Formalladung: 0
Komplexität: 897

Physikochemische Eigenschaften

Schmelzpunkt: 252 · 252-256 °C
Siedepunkt: 754.4 · 754.4±60.0 °C(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: Insoluble in water.
InChIKey: IOPQYDKQISFMJI-UHFFFAOYSA-N
SMILES: P(C1C=CC(C)=CC=1)(C1C=CC(C)=CC=1)C1C=CC2=CC=CC=C2C=1C1C2=CC=CC=C2C=CC=1P(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1
CAS Datenbank: 100165 · 100165-88-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H228 (16.7%): Flammable solid [Danger Flammable solids]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Flam. Sol. 2 (16.7%)

Sicherheitsdaten

wgk: 3
tsca: No
hs_code: 29333990
risk_code: 36/37/38
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl is chiral ligand widely used in asymmetric synthesis. It also used as excellent catalysts for asymmetric hydrogenation of alkenes and some cyclic anhydrides. BINAP is used in organic synthesis for enantioselective transformations catalyzed by its complexes of ruthenium, rhodium, and palladium