TRIS(4,7-DIPHENYL-1,10-PHENANTHROLINE)RUTHENIUM (II) DICHLORIDE CAS#: 36309-88-3; ChemWhat Code: 34073
Identification
| Product Name | TRIS(4,7-DIPHENYL-1,10-PHENANTHROLINE)RUTHENIUM (II) DICHLORIDE |
| IUPAC Name | 4,7-diphenyl-1,10-phenanthroline;ruthenium(2+);dichloride |
| Molecular Structure |  |
| CAS Registry Number | 36309-88-3 |
| EINECS Number | No data available |
| MDL Number | MFCD03095387 |
| Beilstein Registry Number | No data available |
| Synonyms | tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) dichloride[Ru(4,7-diphenyl-1,10-phenanthroline)3]Cl2tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) chloride[Ru(dpp)3]Cl2[Ru(dpphen)3]Cl2 |
| Molecular Formula | C72H48Cl2N6Ru |
| Molecular Weight | 1169.168 |
| InChI | InChI=1S/3C24H16N2.2ClH.Ru/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2 |
| InChI Key | SKZWFYFFTOHWQP-UHFFFAOYSA-L |
| Canonical SMILES | c1ccc(cc1)c2ccnc3c2ccc4c3nccc4c5ccccc5.c1ccc(cc1)c2ccnc3c2ccc4c3nccc4c5ccccc5.c1ccc(cc1)c2ccnc3c2ccc4c3nccc4c5ccccc5.[Cl-].[Cl-].[Ru+2] |
| Patent Information |
| No data available |
Physical Data
| Appearance | Orange powder |
| Solubility | Soluble in alcohol and dimethylformamide. Insoluble in water. |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 | |
| Chemical shifts, Spectrum | 13C | deuterated methanol | 6.84 | 100.6 |
| Chemical shifts | 15N | deuterated methanol | 6.84 | 40.6 |
| Chemical shifts | 13C | dimethylsulfoxide-d6 | 125 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Band assignment, Spectrum | lithium hydroxide monohydrate | 277, 321 | |
| Spectrum | lithium hydroxide monohydrate, acetonitrile | 278, 439, 467 | 99000, 29000, 22000 |
| Spectrum | ethanol | ||
| Spectrum | acetonitrile | ||
| Spectrum | 463 |
| Description (Mass Spectrometry) | Peak |
| electrospray ionisation (ESI), spectrum | |
| MALDI (Matrix assisted laser desorption ionization), time-of-flight mass spectra (TOFMS), spectrum | |
| electrospray ionisation (ESI), spectrum | 548.6496 m/z |
Route of Synthesis (ROS)
| Conditions | Yield |
| In 1,2-dimethoxyethane for 72h; Inert atmosphere; Reflux; Experimental Procedure Synthesis of tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) chloride (I) The [Ru(dpphen)3]Cl2 is synthesized using literature method [35] . RuCl3⋅3H2O (1 mmol) and 4,7-diphen-1,10-phenanthroline (3 mmol) is taken in ethylene glycol under nitrogen atmosphere and heated to reflux for 72 h and the crude product is chromatographed using silica gel. The solution on evaporation yielded orange red crystals. Yield = 85% ESI-MS (m/z) 548.6496 (M-2Cl– doubly charged species). | 85% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 1169.19 |
| HBA | 6 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| TRIS(4,7-DIPHENYL-1,10-PHENANTHROLINE)RUTHENIUM (II) DICHLORIDE CAS#: 36309-88-3 used as probes for luminescence detection and oxygen quantification, for (fiber)photosensors, studies of oxygen in skin and skin tumors, measurement of oxygen flux in skin, and oxygen imaging. |
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