2,2-Bis(3-amino-4-hydroxyphenyl)propane CAS#: 1220-78-6; ChemWhat Code: 109037
Identification
| Product Name | 2,2-Bis(3-amino-4-hydroxyphenyl)propane |
| IUPAC Name | 2-amino-4-[2-(3-amino-4-hydroxyphenyl)propan-2-yl]phenol |
| Molecular Structure |  |
| CAS Registry Number | 1220-78-6 |
| EINECS Number | No data available |
| MDL Number | MFCD00437413 |
| Beilstein Registry Number | No data available |
| Synonyms | 2,2-bis(3-amino-4-hydroxyphenyl)propanebis(3-amino-4-hydroxyphenyl)dimethylmethane2,2-bis(3-amino-4-hydroxylphenyl)propane2,2-Bis-(3-amino-4-hydroxyphenyl)-propan |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.316 |
| InChI | InChI=1S/C15H18N2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,16-17H2,1-2H3 |
| InChI Key | UHIDYCYNRPVZCK-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(c1ccc(c(c1)N)O)c2ccc(c(c2)N)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| TW2018/40532 | Composition, cured product and laminate | 2018 |
| JP2018/123316 | SILICONE-MODIFIED POLYBENZOXAZOLE RESIN AND METHOD FOR PRODUCING THE SAME | 2018 |
Physical Data
| Appearance | White to off-white solid |
| Solubility | Soluble in dimethylformamide |
| Melting Point, °C | Solvent (Melting Point) |
| 250 – 251 | tetrahydrofuran |
| 278 | |
| 263 | |
| 248 – 250 | methanol |
| 271 | ethanol |
| Boiling Point, °C |
| 251 |
| 250 – 252 |
| Density, g·cm-3 | Type (Density) |
| 19.84 | crystallographic |
| Chromatographic data |
| HPLC (High performance liquid chromatography) |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts | 13C | dimethylsulfoxide-d6 | 100 |
| Description (IR Spectroscopy) |
| ATR (attenuated total reflectance), Intensity of IR bands, Bands, Spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With 10% Pd/C; hydrazine hydrate In ethanol for 24h; Reflux; | 88% |
| With 10% Pd/C; hydrogen In ethanol at 70℃; for 12h; | 81% |
| With hydrogenchloride; tin | |
| With hydrogenchloride; tin(ll) chloride | |
| With Pd/C; hydrazine hydrate In ethanol at 65℃; | 85% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] 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 | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 | 290621 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 258.32 |
| logP | 3.746 |
| HBA | 2 |
| HBD | 4 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 92.5 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 2,2-Bis(3-amino-4-hydroxyphenyl)propane CAS 1220-78-6 is used in integrated circuit packaging, suitable as a diamine monomer for the synthesis of polyimide. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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