ASISCHEM D50976
4-amino-4'-nitrodiphenyl sulfide
CAS: 101-59-7
Molecular Formula: C12H10N2O2S
ASISCHEM D50976 - Names and Identifiers
| Name | 4-amino-4'-nitrodiphenyl sulfide |
| Synonyms | ASISCHEM D50976 4-(p-nitrophenylthio)aniline 4-(4-NITROPHENYLTHIO)ANILINE 4-[(4-nitrophenyl)thio]aniline p-((p-nitrophenyl)thio)-anilin sulfide,anilino(p-nitrophenyl) 4-Amino-4-Nitro diphenyl sulfide 4-AMINO-4'-NITRODIPHENYL SULFIDE 4-amino-4'-nitrodiphenyl sulfide 4-amino-4'-nitrodiphenylthioether 4-[(4-nitrophenyl)sulfanyl]aniline 4-((4-nitrophenyl)thio)-benzenamin Benzenamine,4-[(4-nitrophenyl)thio]- |
| CAS | 101-59-7 |
| EINECS | 202-957-1 |
| InChI | InChI=1/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2 |
ASISCHEM D50976 - Physico-chemical Properties
| Molecular Formula | C12H10N2O2S |
| Molar Mass | 246.29 |
| Density | 1.3031 (rough estimate) |
| Melting Point | 143-145°C(lit.) |
| Boling Point | 479.1±30.0 °C(Predicted) |
| Flash Point | 243.5°C |
| Vapor Presure | 2.44E-09mmHg at 25°C |
| Appearance | powder to crystal |
| Color | Orange prisms with blue reflex from C6H6, crystfrom EtOH |
| pKa | 2.99±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.5950 (estimate) |
| MDL | MFCD00007881 |
ASISCHEM D50976 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - 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. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| RTECS | WP9640000 |
| HS Code | 29309090 |
| Toxicity | mmo-sat 25 mg/plate MUREAV 67,123,79 |
ASISCHEM D50976 - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Introduction | 4-amino -4 '-nitrodiphenyl sulfide can be used to prepare 4-4'-diaminodiphenyl sulfone. 4-4 ′-diaminodiphenyl sulfone, also known as dapsone (DDS), is a widely used chemical individual. It can be used as a hardener in epoxy resin curing or as a treatment for human or animal bacterial infections. The therapeutic agent has been approved as an antibiotic by the Food and Drug Administration since 1963. |
| Uses | 4-amino-4'-nitrodiphenyl sulfide is an ether derivative that can be used as an intermediate in organic synthesis. |
| prepare | 4-amino-thiophenol (1.00Kg,7.99 mol) solution dissolved in toluene (2 liters) under nitrogen and slowly added containing 4-1-chloro -4-nitrobenzene (1.32Kg;8.38 mol), toluene (2 liters), 30% sodium hydroxide (1.17Kg) under mechanical stirring; 8.78 mol) and tetrabutylammonium bisulfate (68g;0.2 mol) mixture in the reactor. During the addition, the reaction temperature was maintained at about 85°C; the mixture was then maintained at the same temperature for about 2 hours. Toluene was added to the mixture and then phase separated at about 85°C. The organic phase is then rinsed with dilute sulfuric acid, and the organic phase is concentrated to about 4 liters under vacuum and cooled. The crystalline product is then separated by filtration at 60°C under vacuum, rinsed and dried. 1.87Kg pure 4-amino -4 '-nitrodiphenyl sulfide was obtained (95% yield; Purity 99%). |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | vein-mouse LD50: 180 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxides and sulfur oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from food raw materials |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 19:05:09
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