465-21-4
| Name | Bufalin |
| CAS | 465-21-4 |
| Molecular Formula | C24H34O4 |
| MDL Number | MFCD00056525 |
| Molecular Weight | 386.52 |
| MOL File | 465-21-4.mol |
Chemical Properties
| Melting point | 242-243° |
| alpha | D -20° |
| Boiling point | 556.6±50.0 °C(Predicted) |
| density | 1.226±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO:36.0(Max Conc. mg/mL);93.14(Max Conc. mM) DMF:25.0(Max Conc. mg/mL);64.68(Max Conc. mM) Ethanol:27.5(Max Conc. mg/mL);71.15(Max Conc. mM) Ethanol:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);0.78(Max Conc. mM) |
| form | White to off-white solid |
| pka | 15.01±0.70(Predicted) |
| color | White to off-white |
| InChIKey | QEEBRPGZBVVINN-ONGIWDLKSA-N |
| SMILES | O[C@]12CC[C@H](C3=COC(C=C3)=O)[C@]1(CC[C@]1([H])[C@]3(CC[C@@H](C[C@@]3([H])CC[C@@]21[H])O)C)C |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H300 |
| Precautionary statements | P301+P310+P330 |
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3462 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | EI2962500 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
| HS Code | 29322090 |