4-NITRO-2-CRESOL
2-methyl-4-nitroanisole
CAS: 99-53-6
Molecular Formula: C7H7NO3
4-NITRO-2-CRESOL - Names and Identifiers
| Name | 2-methyl-4-nitroanisole |
| Synonyms | 4-nitro-o-creso 4-NITRO-2-CRESOL 4-Nitro-o-cresol 4-NITRO-O-CRESOL 2-METHYL-4-NITROPHENOL 2-methyl-4-nitrophenol 2-methyl-4-nitroanisole 2-HYDROXY-5-NITROTOLUENE Phenol, 2-methyl-4-nitro- 1-methoxy-2-methyl-4-nitrobenzene 2-METHYL-4-NITROPHENOL (4-NITRO-O-CRESOL) |
| CAS | 99-53-6 |
| EINECS | 202-763-7 |
| InChI | InChI=1/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3 |
4-NITRO-2-CRESOL - Physico-chemical Properties
| Molecular Formula | C7H7NO3 |
| Molar Mass | 153.14 |
| Density | 1.2744 (estimate) |
| Melting Point | 93-98°C(lit.) |
| Boling Point | 266.03°C (rough estimate) |
| Flash Point | 136.7°C |
| Vapor Presure | 0.00556mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White |
| pKa | 7.43±0.22(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5744 (estimate) |
4-NITRO-2-CRESOL - 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 | UN 2446 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | GP2700000 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
4-NITRO-2-CRESOL - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2-methyl-4-nitrophenol is an important fine chemical intermediate, for example, international patent WO2015016373A1 discloses that p-nitroo-cresol is used as an intermediate to prepare a series of tetrazolinone compounds as insecticides; chinese invention patent application CN104557688A reports the use of p-nitroo-cresol to synthesize a novel multi-targeting intermediate of sorafenib for the treatment of cancer. |
| preparation | in a thermometer, stirrer, reflux condenser of 2000 ml Four-necked bottle add 60.8G of p-nitroo-toluidine (0.4mol) and 200g of sodium hydroxide and 115 ml of water, heated to ° C. And keep the reaction for 24 hours after stopping heating, add ml of water, after filtering, the filtrate was slowly added with hydrochloric acid to adjust the pH of the reaction solution to about 4, and yellow solid was precipitated. After cooling to room temperature, the filtrate was filtered, and the filter cake was washed with 1000ml water three times, and then dried, after drying in a vacuum oven at 50 ° C. For 4 hours, yellow 4-nitroo-cresol or2-methyl-4-nitrophenol was obtained as a solid in a yield of 98.1%. |
Last Update：2024-04-09 15:16:52
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