4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0; 凯望编码 (ChemWhat Code): 38091

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE
IUPAC Name(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
分子结构
CAS编号 261733-18-0
MDL NumberMFCD03788937
别名4,6-Bis(diphenylphosphino)phenoxazine; N-XantPhos; 4,6-Bis(diphenylphosphino)phenoxazine; NIXANTPHOS; 4,6-BIS(DIPHENYLPHOSPHINO)-10H-PHENOXAZINE;4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE;4,6-Bis(diphenylphosphino)phenoxazine, NIXANTPHOS; 4,6-Bis(diphenylphosphino)phenoxazine; NIXANTPHOS; 4,6-Bis(diphenylphosphino)-10H-phenoxazine; Bis(diphenylphosphino)phenoxazine
分子式C36H27NOP2
分子量551.6
InChIInChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
InChI KeyHSWZLYXRAOXOLL-UHFFFAOYSA-N
Canonical SMILESC1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
Patent Information
No data available

Physical Data

AppearanceGrey to white solid
Melting Point256-262 °C
Boiling Point662.1°C at 760 mmHg
Flash Point354.3°C
Water SolubilityMiscible with water

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)
Chemical shifts1H
Chemical shifts 31P
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 HNMR4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 HNMR
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 PNMR4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 PNMR
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 HPLC4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS 261733-18-0 HPLC

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
For more detailed information, please visit ECHA C&L website

Other Data

TransportationNot dangerous goods
Room temperature, sealed, away from light and filled with nitrogen gas to prevent oxidation
HS Code294200
StorageRoom temperature, sealed, away from light and filled with nitrogen gas to prevent oxidation
Shelf Life2 years
Market PriceUSD 80/g
Use Pattern
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 is a deprotonatable chelating aryldiphosphine ligand that can be used in:
• The preparation of Pd-NiXantphos catalyst system for the room temperature cross-coupling reactions of unactivated aryl chlorides.
• The synthesis of cinchonine iridium(III) cyclometalated complex that exhibits luminescence and good quantum efficiency.
• 4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE and N-modified counterparts are also used in the preparation of rhodium based catalysts for hydroformylation reaction.
reaction suitability  
reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: ligand
reaction type: Cross Couplings

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