durafur brown 2R
2-Nitro-1,4-Phenylenediamine
CAS: 5307-14-2
Molecular Formula: C6H7N3O2
durafur brown 2R - Names and Identifiers
durafur brown 2R - Physico-chemical Properties
| Molecular Formula | C6H7N3O2 |
| Molar Mass | 153.14 |
| Density | 1.3682 (rough estimate) |
| Melting Point | 135-138 °C (lit.) |
| Boling Point | 276.04°C (rough estimate) |
| Flash Point | 157.983°C |
| Water Solubility | <0.1 g/100 mL at 22 ºC |
| Solubility | 0.2g/l |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Colorless liquid |
| Color | Brown to black |
| BRN | 2210195 |
| pKa | 4.36±0.10(Predicted) |
| PH | 7 (H2O)(aqueous suspension) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.6500 (estimate) |
| MDL | MFCD00007903 |
| Physical and Chemical Properties | Melting Point: 137 ℃ water-soluble:<0.1g/100 mL at 22 C |
durafur brown 2R - Risk and Safety
| Risk Codes | R43 - May cause sensitization by skin contact R68 - Possible risk of irreversible effects |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 3143 |
| WGK Germany | 2 |
| RTECS | ST3000000 |
| TSCA | Yes |
| HS Code | 29215119 |
durafur brown 2R - Reference Information
| LogP | 0.53 |
| (IARC) carcinogen classification | 3 (Vol. Sup 7, 57) 1993 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | 2-nitrop-phenylenediamine, also known as 2-nitro-1, 4-phenylenediamine, is an important pharmaceutical raw material and can be used to combine retegabine, iprazol, ezogabine and other drugs. |
| preparation | 0.5 moles (about 103.1g) of 1,4-p-phenylenediamine sulfate I, 1.1 moles (about 231g) of analytically pure trifluoroacetic anhydride, 1.6 moles (about 162g) of triethylamine and 250 ml of analytically pure dichloromethane were added to the reactor and stirred for 1 hour at room temperature. Filtered to obtain 142.5 grams of N1, N4-ditrifluoroacetyl-p-phenylenediamine II. N1, N4-ditrifluoroacetyl-p-phenylenediamine II(60.3g, 0.2 mol) was added to 300 ml of analytically pure acetic anhydride and stirred well to form a suspension. 25 ml of analytically pure concentrated nitric acid was added dropwise to the reaction system at room temperature. Continue stirring for 6 hours after dripping. Then the reaction solution is filtered, and the filter cake is washed once with 200 ml of water and 200 ml of analytically pure ethyl acetate. After full drying, 36.3g N1,N4-ditrifluoroacetyl -2-nitro-p-phenylenediamine III was obtained. 36.3 grams of N1, N4-ditrifluoroacetyl-2-nitro-p-phenylenediamine III, 53 grams of sodium carbonate and 400 ml of water were added to the reactor, and heated and refluxed for 1 hour. After the reaction, the reaction system is reduced to room temperature. 16.1 grams of 2-nitrop-phenylenediamine was obtained by suction filtration of the reaction system. The total yield of the three-step reaction was 50%. The product is a red-black solid with a melting point of 136-137 ℃. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rat LD50: 2100 mg/kg; Abdominal cavity-rat LD50: 348 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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