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| | 4-Amino-4'-nitrodiphenyl sulfide Basic information | | Uses |
| | 4-Amino-4'-nitrodiphenyl sulfide Chemical Properties |
| Melting point | 143-145 °C(lit.) | | Boiling point | 479.1±30.0 °C(Predicted) | | density | 1.3031 (rough estimate) | | refractive index | 1.5950 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 2.99±0.10(Predicted) | | color | Orange prisms with blue reflex from C6H6, crystfrom EtOH | | InChI | 1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2 | | InChIKey | ZBPKGHOGUVVDLF-UHFFFAOYSA-N | | SMILES | Nc1ccc(Sc2ccc(cc2)[N+]([O-])=O)cc1 | | CAS DataBase Reference | 101-59-7(CAS DataBase Reference) | | EPA Substance Registry System | 4-[(4-Nitrophenyl)thio]aniline (101-59-7) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | WP9640000 | | HS Code | 29309090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | mmo-sat 25 mg/plate MUREAV 67,123,79 |
| | 4-Amino-4'-nitrodiphenyl sulfide Usage And Synthesis |
| Uses | 4-Amino-4'-nitrodiphenyl sulfide is an ether derivative that can be used as an intermediate in organic synthesis. | | Safety Profile | Poison by intravenous route.Mutation data reported. When heated to decomposition it emits very toxic fumesof NOx and SOx. | | Synthesis | A solution of 4-amino-benzenethiol (1.00 Kg, 7.99 mol) was dissolved in toluene (2 liters) under nitrogen and slowly added with mechanical stirring to a reactor containing 4-1-chloro-4-nitrobenzene (1.32 Kg; 8.38 mol), toluene (2 liters), 30% sodium hydroxide (1.17 Kg; 8.78 mol), and tetrabutylammonium hydrogensulfate (68 g; 0.2 mol). mixture in a reactor. The reaction temperature was maintained at about 85C during addition; the mixture was then maintained at the same temperature for about 2 hours. Toluene was added to the mixture and then the phases were separated at about 85C. The organic phase was then flushed with dilute sulfuric acid. The organic phase was then flushed with dilute sulfuric acid and the organic phase was concentrated under vacuum to about 4 liters and cooled. It was then separated by filtration at 60C under vacuum, rinsed and the crystalline product was dried. 1.87 Kg of pure 4-amino-4'-nitrodiphenyl sulfide was obtained (95% yield; 99% purity). |
| | 4-Amino-4'-nitrodiphenyl sulfide Preparation Products And Raw materials |
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