4,6-BIS(DIPHENYLPHOSPHINO)PHENOXAZINE CAS#: 261733-18-0; ChemWhat Code: 38091
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 |
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 |
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 |  |
Route of Synthesis (ROS)
| No data available |
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 |
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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