Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

Product Name	4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE
IUPAC Name	(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
Molecular Structure
CAS Registry Number	261733-18-0
MDL Number	MFCD03788937
Synonyms	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
Molecular Formula	C36H27NOP2
Molecular Weight	551.6
InChI	InChI=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 Key	HSWZLYXRAOXOLL-UHFFFAOYSA-N
Canonical SMILES	C1=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

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Physical Data

Appearance	Grey to white solid
Melting Point	256-262 °C
Boiling Point	662.1°C at 760 mmHg
Flash Point	354.3°C
Water Solubility	Miscible with water

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Spectra

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)
Chemical shifts	1H
Chemical shifts	31P
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 HNMR
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 PNMR
4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0 HPLC

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Route of Synthesis (ROS)

No data available

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Safety and Hazards

Pictogram(s)
Signal	Warning
GHS Hazard Statements	H315: 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 Codes	P261, 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

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Other Data

Transportation	Not dangerous goods
	Room temperature, sealed, away from light and filled with nitrogen gas to prevent oxidation
HS Code	294200
Storage	Room temperature, sealed, away from light and filled with nitrogen gas to prevent oxidation
Shelf Life	2 years
Market Price	USD 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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Warhsel Chemical Ltd	https://www.warshel.com/
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