2581-34-2
3-Methyl-4-nitrophenol
CAS: 2581-34-2
Molecular Formula: C7H7NO3
2581-34-2 - Names and Identifiers
| Name | 3-Methyl-4-nitrophenol |
| Synonyms | Nitrocresol 4-nitro-m-creso 4-Nitro-m-cresol 3-Methyl-4-Cresol m-Cresol, 4-nitro- 4-nitro-5-methylphenol 4-Nitro-3-phenylphenol 3-methyl-4-nitro-pheno 3-Methyl-4-nitrophenol 5-Methyl-4-nitrophenol 4-nitro-3-methyl phenol Phenol, 3-methyl-4-nitro- 3-methyl-4-nitrophenolate 4-Nitro-1-hydroxy-3-methylbenzene 5-Hydroxy-2-nitrotoluene~4-Nitro-m-cresol |
| CAS | 2581-34-2 |
| EINECS | 219-952-5 |
| InChI | InChI=1/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3/p-1 |
2581-34-2 - Physico-chemical Properties
| Molecular Formula | C7H7NO3 |
| Molar Mass | 153.14 |
| Density | 1.2744 (estimate) |
| Melting Point | 125-130°C(lit.) |
| Boling Point | 200℃（decomposition） |
| Flash Point | 110℃ |
| Water Solubility | Soluble in water(1.34g/L). |
| Vapor Presure | 0.000472mmHg at 25°C |
| Appearance | powder to crystal |
| Color | Light yellow to Yellow to Orange |
| BRN | 1868105 |
| pKa | 7.39±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5744 (estimate) |
| Physical and Chemical Properties | Characteristics of needle-like or columnar yellow crystals. No discoloration in air or light. melting point 128~129 ℃ boiling point 200 ℃ (decomposition) flash point 110 ℃ solubility: very soluble in ethanol, ether, chloroform and benzene. Insoluble in cold water. |
| Use | Used as a pharmaceutical Intermediate |
2581-34-2 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2446 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | GP2625000 |
| TSCA | Yes |
| HS Code | 29089000 |
| Hazard Class | 6.1 |
| Packing Group | III |
2581-34-2 - Nature
Open Data Verified Data
needle-like or columnar yellow crystals. No discoloration in air or light. The melting point was 128-129 °c. Boiling point 200 degrees C (decomposition). Flash point 110 °c. The ignition point was 55 °c. Very soluble in ethanol, ether, chloroform and benzene, difficult to dissolve in cold water. Its sodium and potassium salts are yellow leaf-like crystals containing 2 molecules of crystal water.
Last Update：2024-01-02 23:10:35
2581-34-2 - Preparation Method
Open Data Verified Data
with m-cresol as raw material.
- hydrochloric acid nitrosation oxidation method a nitroso compound was obtained by reacting m-cresol with 15% hydrochloric acid, sodium nitrite, and sodium hydroxide at a reaction temperature of (0±3) °c. Then in 38% nitric acid at (40±2) c oxidation, that is obtained. Yield 87%.
- nitric acid in one step, m-cresol was added dropwise to a solution of 20% nitric acid and 40% sodium nitrite at a temperature of 5 to 0 ° C., stirred for 10 min, heated to 30 ° C. And maintained for 2H. Yield 99%.
Last Update：2022-01-01 10:50:25
2581-34-2 - Use
Open Data Verified Data
The use of a wide range, mainly used to produce pesticides (a high efficiency, low toxicity, low residues of excellent organophosphorus pesticides).
Last Update：2022-01-01 10:50:25
2581-34-2 - Safety
Open Data Verified Data
- the production workshop should be well ventilated and the equipment should be closed. The operator should wear protective gear.
- the use of lined plastic bags, outer iron drum packaging, storage in a cool, dry, ventilated place. Keep away from fire, heat source, sun protection, moisture. According to the provisions of toxic substances storage and transportation.
Last Update：2022-01-01 10:50:26
2581-34-2 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Used as a pharmaceutical intermediate p-nitro m-cresol is also called 3-methyl-4-nitrophenol (3-methyl-4-nitrophenol), referred to as 4-nitrate, is an intermediate of the organophosphorus insecticide fenthion. It has a wide range of uses and is mainly used to make the pesticide carpel (an excellent organophosphorus insecticide with high efficiency, low toxicity and low residue). |
| production method | m-cresol is used as raw material and can be obtained by nitrosation oxidation or direct nitrification. 1. Hydrochloric acid nitrosation oxidation method to react m-cresol with 15% hydrochloric acid, sodium nitrite and sodium hydroxide at the reaction temperature (0±3)℃ to prepare nitroso compounds. Then oxidize in 38% nitric acid at (40±2) °C to obtain. The yield is 87%. 2. nitric acid one-step method to add m-cresol dropwise to 20% nitric acid and 40% sodium nitrite solution at -5~0 ℃, stir for 10 minutes, then raise the temperature to 30 ℃ and keep the temperature for 2 hours to obtain the result. The yield is 99%. There is also a method called hydroxyl protection nitrification. The preparation methods of p-nitrom-cresol include nitrosation oxidation and one-step nitrification. Because the one-step nitrification method consumes a large amount of phenol and has a high cost, the nitrosation oxidation method is used in industry. The reaction equation is shown in the figure. The pre-prepared dilute nitric acid is added to the nitrosation kettle, and the mixed solution of cresol and sodium nitrite is added dropwise under strong stirring and low temperature. After adding, keep the low temperature reaction for a certain period of time, and put the material into an oxidation kettle to slowly raise the temperature for oxidation. Use Na2CO3 liquid to absorb a large amount of NOx released. When the temperature in the oxidation kettle rises to 47 ℃, NOx is released almost completely, and the temperature is reduced to below 25 ℃. Put it into a centrifuge for centrifugal separation to obtain crude 4-nitrate. After metrological analysis, it is added into a refining kettle, dissolved by toluene heating, crystallized at low temperature, and then separated in an explosion-proof centrifuge to obtain refined 4-nitrate. |
Last Update：2024-04-10 22:29:15
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Product Name: 3-Methyl-4-nitrophenol Request for quotation
CAS: 2581-34-2
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CAS: 2581-34-2
Tel: +86-21-56795779
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Mobile: +86-13651600618
QQ: 2850607228
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