27318-90-7
1,10-Phenanthroline-5,6-dione
CAS: 27318-90-7
Molecular Formula: C12H6N2O2
27318-90-7 - Names and Identifiers
| Name | 1,10-Phenanthroline-5,6-dione |
| Synonyms | phen-5,6-dione Phenanthroline-5,6- 1,10-Phenanthroline-5,6-dione [1,10]Phenanthroline-5,6-Dione 1,10-Phenanthroline-5,6-quinone 1 10-PHENANTHROLINE-5 6-DIONE 97 5,6-dihydro-1,10-phenanthroline-5,6-dione 5,6-Dihydro-5,6-dioxo-1,10-phenanthroline |
| CAS | 27318-90-7 |
| InChI | InChI=1/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H |
| InChIKey | KCALAFIVPCAXJI-UHFFFAOYSA-N |
27318-90-7 - Physico-chemical Properties
| Molecular Formula | C12H6N2O2 |
| Molar Mass | 210.19 |
| Density | 1.444±0.06 g/cm3(Predicted) |
| Melting Point | 260°C (dec.)(lit.) |
| Boling Point | 456.1±20.0 °C(Predicted) |
| Flash Point | 229.1°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 1.66E-08mmHg at 25°C |
| Appearance | Crystallization |
| Color | Light yellow to Amber to Dark green |
| Maximum wavelength(λmax) | ['251nm(MeOH)(lit.)'] |
| pKa | 0.26±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.677 |
| MDL | MFCD00014473 |
| Use | A Bifunctional quinone oxidant |
27318-90-7 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29349990 |
27318-90-7 - Reference Information
| use | 1,10-o-phenanthroline -5, 6-dione is mainly used in pharmaceutical intermediates. 1,10-o-phenanthroline -5, 6-dione is an intermediate of medicine, organic and materials. |
| preparation | weigh 1,10-phen(2.00g about 1.01x 10-2 mol), KBr (3.00g) and add it to concentrated sulfuric acid (20 ml, 98%) in an ice bath at 0°C. drop 10ml of concentrated HNO3 (68%,w/w) below 30°C to remove the ice bath, heating at 40°C for 6 hours, the color of the solution is lighter than the initial, but it is still reddish brown. After the temperature is raised to 80°C for 2 hours, the condenser tube is removed at the same temperature to make Br2 volatilize clean (About 3 hours). After cooling the solution to room temperature, pour in an appropriate amount of ice water and stir with a magnetic stirrer. Carefully neutralize the solution with an aqueous NaOH solution to a pH of 6-7 (always keep ice in the solution during neutralization). Hold still for a moment, after the inorganic salt produced is separated out, the upper water solution is separated. The aqueous solution of the upper layer is extracted with CHCl3, the extract is dried with anhydrous magnesium sulfate, and CHCl3 is evaporated to obtain a yellow solid. The solid was recrystallized with anhydrous methanol and dried at 60°C to obtain yellow crystals. 1,10-o-phenanthroline -5,6-dione: yellow crystal, m.p. 257-258°C, yield: 86%. |
| application | 1,10-o-phenanthroline -5, 6-dione is an organic synthesis intermediate and pharmaceutical intermediate, which can be used in laboratory organic synthesis and chemical medicine research and development process. |
Last Update：2024-04-09 15:16:49
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