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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