2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

HCID 11269872CAS 657408-07-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey: VNFWTIYUKDMAOP-UHFFFAOYSA-N
Summenformel: C26H35O2P
Durchschnittliche Molmasse: 410,5 g/mol
Monoisotopische Masse: 410,23746699

Namen und Bezeichner

Bevorzugter Name: 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
IUPAC: dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane
Englischer Name: 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
Summenformel: C26H35O2P
Molmasse: 410.53

Namen und Synonyme

657408-07-62-Dicyclohexylphosphino-2',6'-dimethoxybiphenylSphos phosphine ligand [MI]XI1MQ32186UNII-XI1MQ32186Buchwald phosphine ligands, sphos phosphine ligand-DTXSID90460730Phosphine, dicyclohexyl(2',6'-dimethoxy(1,1'-biphenyl)-2-yl)-Phosphine, dicyclohexyl(2',6'-dimethoxy[1,1'-biphenyl]-2-yl)-RefChem:86777SPHOS PHOSPHINE LIGANDDTXCID30411549

Weitere Namen anzeigen

dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphane98% SPhos2-Dicyclohexylphosphino-2',6'-dimethoxybipheny6´NS-PHOSSPhos 97%SPhos, >=98%SPhos ChemBeads

613-838-2SPhosS-PhosDicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphineDicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphaneMFCD058616112-Dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl(1S)-Dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

Datenbank-Bezeichner

CAS: 657408-07-6
PubChem CID: 11269872
DTXSID: DTXSID90460730
UNII: XI1MQ32186
EC Number: 613-838-2
Nikkaji: J2.040.271G、J2.593.256K、J3.715.842I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,7
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 29
Formalladung: 0
Komplexität: 441

Physikochemische Eigenschaften

Schmelzpunkt: 164 · 164-166°C
Siedepunkt: 513.3 · 513.3±40.0 °C(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Chloroform
Aggregatzustand: crystal
Farbe: white
InChI: InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3
InChIKey: VNFWTIYUKDMAOP-UHFFFAOYSA-N
SMILES: P(C1CCCCC1)(C1CCCCC1)C1=CC=CC=C1C1=C(OC)C=CC=C1OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.