Binap, (A+-)-

HCID 634876CAS 76189-55-4

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Grundinformationen

Standard-SMILES: c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIKey: MUALRAIOVNYAIW-UHFFFAOYSA-N
Summenformel: C44H32P2
Durchschnittliche Molmasse: 622,7 g/mol
Monoisotopische Masse: 622,19792428

Überblick

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Namen und Bezeichner

Bevorzugter Name: Binap, (A+-)-
IUPAC: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
Englischer Name: (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl
Summenformel: C44H32P2
Molmasse: 622.69

Namen und Synonyme

2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYLrac-BINAP(1,1'-Binaphthalene)-2,2'-diylbis(diphenylphosphine)RAC-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL970O8508MBPhosphine, 1,1'-(1,1'-binaphthalene)-2,2'-diylbis(1,1-diphenyl-DTXSID40913327RefChem:1079872Binap, (A+-)-DTXCID70102004898327-87-876189-55-4

Weitere Namen anzeigen

(+)-BINAPRACEMIC-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene(+/-)-BINAP98% (R)-BINAPRACEMIC-BINAP

76189-56-5(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthylBINAP(S)-BINAP2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene(S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl(R)-BINAP(R)-(+)-BINAP

Datenbank-Bezeichner

CAS: 76189-55-4、76189-56-5、98327-87-8
PubChem CID: 634876
DTXSID: DTXSID40913327
ChEMBL: CHEMBL1275990
UNII: 4F1X2F8NA3、970O8508MB、OX12238KWH
EC Number: 616-304-7、619-338-0、918-620-3
Nikkaji: J1.058.033A、J1.058.045E、J181.354D、J181.355B、J461.407K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 11,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 7
Schwere Atome: 46
Formalladung: 0
Komplexität: 797

Physikochemische Eigenschaften

Schmelzpunkt: 283 · 283-286 °C(lit.)
Siedepunkt: 724.3 · 724.3±55.0 °C(Predicted)
Brechungsindex: 235 ° · 235 ° (C=0.3, Toluene)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Benzene (Slightly), Chloroform (Slightly)
Aggregatzustand: Powder
Farbe: White to cream-white
Wasserlöslichkeit: insoluble
Merck: 14 · 14,1223
BRN: 4914063 · 4914063
InChIKey: MUALRAIOVNYAIW-UHFFFAOYSA-N
SMILES: P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC2=CC=CC=C2C=1C1C2=CC=CC=C2C=CC=1P(C1C=CC=CC=1)C1C=CC=CC=1
CAS Datenbank: 76189 · 76189-55-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (96%): 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 25 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning