2-methoxy-5-nitrophenol
2-methoxy-5-nitrophenol
CAS: 636-93-1
Molecular Formula: C7H7NO4
2-methoxy-5-nitrophenol - Names and Identifiers
| Name | 2-methoxy-5-nitrophenol |
| Synonyms | 5-Nitroguaiacol 2-Methoxy-5-nitrophe 2-methoxy-5-nitrophenol 2-METHOXY-5-NITROANILINE Phenol, 2-methoxy-5-nitro- 2-Hydroxy-1-methoxy-4-nitrobenzene 5 nitroguaiacol, 2-methoxy-5-nitrophenol 3-Hydroxy-4-methoxynitrobenzene~5-Nitroguaiacol 5-Nitroguaiacol (3-Hydroxy-4-methoxynitrobenzene) |
| CAS | 636-93-1 |
| EINECS | 211-269-0 |
| InChI | InChI=1/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3 |
| InChIKey | KXKCTSZYNCDFFG-UHFFFAOYSA-N |
2-methoxy-5-nitrophenol - Physico-chemical Properties
| Molecular Formula | C7H7NO4 |
| Molar Mass | 169.13 |
| Density | 1.3375 (estimate) |
| Melting Point | 103-107 °C (lit.) |
| Boling Point | 110-112 °C/1 mmHg (lit.) |
| Flash Point | 110-112°C/1mm |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00115mmHg at 25°C |
| Appearance | Solid |
| Color | Light Yellow to Light Brown |
| BRN | 2047074 |
| pKa | 8.31±0.19(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5830 (rough estima |
| MDL | MFCD00015561 |
2-methoxy-5-nitrophenol - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - 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. |
| UN IDs | 2811 |
| WGK Germany | 3 |
| HS Code | 29095090 |
| Hazard Note | Irritant |
| Packing Group | III |
2-methoxy-5-nitrophenol - Reference Information
| Application | 2-methoxy-5-nitrophenol can be used as intermediates in organic synthesis and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical production process. |
| preparation | phenol (0.10 mol) was added to sodium hydroxide (40%,10 mL,0.1 mol) the water was dissolved and allowed to dissolve slowly under heating, and the water was concentrated by evaporation under reduced pressure. PEG 400(1.6g, about 0.04 mol) and the alkylating agent dimethyl sulfate (0.11 mol) were slowly added to the reaction system with vigorous stirring. The reaction was promoted by heating and monitored by HPLC and TLC until complete conversion of phenol. The mixture was then poured into hot aqueous sodium hydroxide (5%) or water (80-90 °c, 100 ml) and stirred to allow the product to precipitate or the layers to separate. The precipitate or organic layer was washed with water (three 50 ml portions). The purity of the intermediate product obtained by this route was shown to be above 96% by HPLC. If higher purity is desired, recrystallization or distillation in vacuo can be performed using a suitable solvent. Note: dimethyl sulfate is a highly toxic compound, the use of the need to pay special attention to safety, never stick to the skin or gloves. |
Last Update：2024-04-09 21:04:16
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