Chenodeoxycholic-2,2,4,4-d4 acid
- Product NameChenodeoxycholic-2,2,4,4-d4 acid
- CAS99102-69-9
- MFC24H36D4O4
- MW396.6
- EINECS
- MOL File99102-69-9.mol
Chemical Properties
| Melting point | 165-167 °C(lit.) |
| Boiling point | 547.148±25.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.129±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| Flash point | 9℃ |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| form | Solid |
| pka | 4.758±0.10(predicted) |
| color | White to Off-White |
| InChIKey | RUDATBOHQWOJDD-PSTGXAJBSA-N |
| SMILES | O[C@H]1[C@@H]2[C@@H]([C@@]4([C@@H](C([C@@H](C(C4)([2H])[2H])O)([2H])[2H])C1)C)CC[C@]3([C@H]2CC[C@@H]3[C@@H](CCC(=O)O)C)C |
| CAS Number Unlabeled | 474-25-9 |
Safety Information
| Safety Statements | 22-24/25 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 3 |
| RTECS | FZ1980000 |
| 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 |
