641-77-0
| Name | 11BETA,17ALPHA-DIHYDROXY-4-PREGNENE-3,20-DIONE |
| CAS | 641-77-0 |
| EINECS(EC#) | 211-375-7 |
| Molecular Formula | C21H30O4 |
| MDL Number | MFCD00056476 |
| Molecular Weight | 346.46 |
| MOL File | 641-77-0.mol |
Chemical Properties
| Melting point | 225-228 °C |
| Boiling point | 523.9±50.0 °C(Predicted) |
| density | 1.21±0.1 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | -20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 12.86±0.70(Predicted) |
| color | White to Pale Yellow |
| Major Application | clinical testing clinical testing |
| InChI | 1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1 |
| InChIKey | LCZBQMKVFQNSJR-UJPCIWJBSA-N |
| SMILES | CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C |
Safety Data
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 3 |
| REACH Registrations | Active |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |