3,3′-Diamino-4,4′-dihydroxydiphenyl sulfone CAS#: 7545-50-8; ChemWhat Code: 72517
Identification
| Product Name | 3,3′-Diamino-4,4′-dihydroxydiphenyl sulfone |
| IUPAC Name | 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol |
| Molecular Structure |  |
| CAS Registry Number | 7545-50-8 |
| EINECS Number | No data available |
| MDL Number | MFCD00025181 |
| Beilstein Registry Number | No data available |
| Synonyms | bis(3-amino-4-hydroxyphenyl)sulfone3,3′-diamino-4,4′-dihydroxydiphenyl sulfonebis-(3-amino-4-hydroxy phenyl)sulphone3,3′-Diamino-4,4′-dihydroxydiphenylsulfon |
| Molecular Formula | C12H12N2O4S |
| Molecular Weight | 280.300 |
| InChI | InChI=1S/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2 |
| InChI Key | KECOIASOKMSRFT-UHFFFAOYSA-N |
| Canonical SMILES | c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)N)O)N)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP2018/123103 | DIAMINE COMPOUND, AND HEAT-RESISTANT RESIN AND RESIN COMPOSITION USING THE SAME | 2018 |
| US4012419 | Bisfluoran chromogenic compounds, preparation thereof, and pressure-sensitive copy systems employing same | 1977 |
Physical Data
| Appearance | White to off white powder |
| Solubility | Slightly soluble in methanol |
| Melting Point, °C | Solvent (Melting Point) | Comment (Melting Point) |
| 231 | ||
| 231 – 232 | aq. ethanol, NaHSO3 | Decomposition. |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts, Spectrum | 13C | dimethylsulfoxide-d6 | 100 |
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), liquid chromatography mass spectrometry (LCMS), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With 10% Pd/C; hydrazine hydrate In 1,4-dioxane; ethanol at 95℃; for 24h; Inert atmosphere; | 94% |
| With iron; ammonium chloride In water at 50℃; Concentration; Temperature; Large scale; | 93% |
| With palladium-on-charcoal; ethanol Hydrogenation; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 280.304 |
| logP | 1.408 |
| HBA | 4 |
| HBD | 4 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 135.02 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Bis(3-amino-4-hydroxyphenyl) sulfone (CAS 7545-50-8) is primarily used in the field of integrated circuits (ICs) for its role in enhancing the performance of certain materials. Bis(3-amino-4-hydroxyphenyl) sulfone be used in the formulation of photoresist materials due to its aromatic structure and reactive functional groups, aiding in high-resolution patterning processes. It contributes to the synthesis of high-performance polymers, such as polyimides or polyether sulfones, which serve as dielectric materials with excellent thermal stability and mechanical properties. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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