1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

HCID 636044CAS 161265-03-8

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Grundinformationen

Standard-SMILES: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIKey: CXNIUSPIQKWYAI-UHFFFAOYSA-N
Summenformel: C39H32OP2
Durchschnittliche Molmasse: 578,6 g/mol
Monoisotopische Masse: 578,19283964

Namen und Bezeichner

Bevorzugter Name: 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
IUPAC: (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
Englischer Name: 4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene
Summenformel: C39H32OP2
Molmasse: 578.62

Namen und Synonyme

161265-03-8Xantphos4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene9,9-dimethyl-4,5-bis(diphenylphosphino)xantheneNMU72MOG9BPhosphine, 1,1'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenyl-DTXSID20348350Phosphine, 1,1'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenyl-9,9-dimethyl-4,6-bis(diphenylphosphino)xantheneRefChem:902347DTXCID502994221,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

Weitere Namen anzeigen

XANT PHOSXanphosDimethylbisdiphenylphosphinoxantheneXanthphosBis(diphenylphosphino)-9,9-diMethylxanthene4,5-BIS(DIPHENYLPHOSPHINO)-9,9-DIMETHYLX(9,9-DIMETHYL-9H-XANTHENE-4,5-DIYL)BIS[DIPHENYL PHOSPHINE]

(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)MFCD00233866Xantphos [MI](5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane(9,9-DIMETHYL-9H-XANTHENE-4,5-DIYL)BIS(DIPHENYLPHOSPHANE)C39H32OP2[5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane(5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane

Datenbank-Bezeichner

CAS: 161265-03-8
PubChem CID: 636044
DTXSID: DTXSID20348350
ChEMBL: CHEMBL6038035
UNII: NMU72MOG9B
EC Number: 605-249-4
Nikkaji: J1.199.378H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 9,7
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 6
Schwere Atome: 42
Formalladung: 0
Komplexität: 731

Physikochemische Eigenschaften

Schmelzpunkt: 224 · 224-228 °C(lit.)
Siedepunkt: 665.7 · 665.7±55.0 °C(Predicted)
Flammpunkt: 450 ℃ · 450℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in organic solvents.
Aggregatzustand: Crystals
Farbe: White to light yellow
InChIKey: CXNIUSPIQKWYAI-UHFFFAOYSA-N
SMILES: C12=C(OC3=C(C1(C)C)C=CC=C3P(C1C=CC=CC=1)C1C=CC=CC=1)C(P(C1C=CC=CC=1)C1C=CC=CC=1)=CC=C2
CAS Datenbank: 161265 · 161265-03-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (2 of 90) of reports.

Warning

H315 (54.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 90 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 90 reports by companies.；There are 17 notifications provided by 88 of 90 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.