2-HYDROXYPYRIDINE 1-OXIDE
2-Hydroxypyridine N-oxide
CAS: 13161-30-3
Molecular Formula: C5H5NO2
2-HYDROXYPYRIDINE 1-OXIDE - Names and Identifiers
| Name | 2-Hydroxypyridine N-oxide |
| Synonyms | HOPO HPNO TIMTEC-BB SBB004330 2-PYRIDINOL N-OXIDE 2-pyridinol-1-oxide 1-HYDROXY-2-PYRIDONE PYRIDIN-2-OL 1-OXIDE 2-HYDROXYPRIDINE-N-OXIDE 2-HYDROXYPYRIDINE 1-OXIDE 2-Hydroxypyridine N-oxide 2-Hydorxy Pyridine-N-Oxide 1 HYDROXY-2(1H)-PYRIDINONE 1-Hydroxy-2-pyridone, 2-Pyridinol N-oxide Pyridinium,1,2-dihydroxy-,1-hydroxide,inner salt 2-Hydroxypyridine-N-oxide, 2-Pyridinol N-oxide, 1-Hydroxy-2-pyridone |
| CAS | 13161-30-3 |
| EINECS | 236-100-8 |
| InChI | InChI=1/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H |
| InChIKey | JVHZMYAXZUIZKS-UHFFFAOYSA-N |
2-HYDROXYPYRIDINE 1-OXIDE - Physico-chemical Properties
| Molecular Formula | C5H5NO2 |
| Molar Mass | 111.1 |
| Density | 1.111 |
| Melting Point | 147-152 °C |
| Boling Point | 387.7±15.0 °C(Predicted) |
| Flash Point | 100°C |
| Water Solubility | 331g/L |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| Vapor Presure | 0.223Pa at 25℃ |
| Appearance | Light brown crystal |
| Color | Off-White to Light Yellow |
| BRN | 1422545 |
| pKa | pK1:-0.62;pK2:5.97(0) (25°C) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | 1.554 |
| MDL | MFCD00006195 |
2-HYDROXYPYRIDINE 1-OXIDE - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S22 - Do not breathe dust. |
| WGK Germany | 3 |
| HS Code | 29333990 |
2-HYDROXYPYRIDINE 1-OXIDE - Reference Information
| LogP | -1.07 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Application | 2-hydroxypyridine-N-oxide is an important compound. Recent studies have found that this compound plays a special role in preventing and controlling the degradation of wood due to white-rot fungi; at the same time, it is also a new type of effective subway chelating agent; moreover, the complex formed by this compound and vanadium also plays an important role in biochemistry. |
| prepare | 500L reaction kettle add 30kg of 2-chloropyridine, 200kg of tap water, 1.5kg of sodium tungstate and 2kg of concentrated sulfuric acid, and stir until dissolved; Raise the temperature to 55 ℃, slowly add 100kg of 30% hydrogen peroxide; After dropping, the reaction was continued at this temperature for 48 hours, and the conversion rate of raw materials tested by HPLC was 84%, cooling to room temperature, adding 12.3kg of liquid alkali to adjust to neutral, adding 50kg of toluene, extracting unreacted raw materials (this layer can concentrate and recover toluene and raw materials); adding 20kg of sodium hydroxide to the water layer, refluxing for 8 hours, HPLC monitoring, showing that the raw materials are completely converted, cooling to 25 ℃, adding hydrochloric acid to adjust PH = 6, adding ethyl acetate for extraction, each dosage is 30kg, extracting three times, and combining organic phases, dry with 15kg of anhydrous sodium sulfate; filter, concentrate the organic phase to 1/5 of the original volume, add 85kg of 60-90 ℃ petroleum ether, cool to -5 ℃, stir and crystallize; filter and dry to obtain light yellow crystal powder 22.9kg, yield: 78.05% (calculated with 2-chloropyridine, and no calculated recovered 2-chloropyridine). |
Last Update：2024-04-09 02:00:06
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