221093-45-4
| Name | 17BETA-ESTRADIOL-2,4,16,16,17-D5 |
| CAS | 221093-45-4 |
| EINECS(EC#) | 690-579-1 |
| Molecular Formula | C18H19D5O2 |
| MDL Number | MFCD01075456 |
| Molecular Weight | 277.41 |
| MOL File | 221093-45-4.mol |
Chemical Properties
| Melting point | 178-179 °C(lit.) |
| Boiling point | 445.917±45.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.171±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| Fp | 2℃ |
| storage temp. | -20°C |
| solubility | Methanol (Slightly) |
| form | Solid |
| pka | 10.273±0.60(predicted) |
| color | White |
| Major Application | clinical testing clinical testing |
| InChI | 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D |
| InChIKey | VOXZDWNPVJITMN-MOKSCAJFSA-N |
| SMILES | [2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])[C@]4([2H])O)[C@@H]3CCc2c([2H])c1O |
Safety Data
| Hazard Codes | T,Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | 3 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |