59468-90-5
| Name | 1'-HYDROXYMIDAZOLAM |
| CAS | 59468-90-5 |
| EINECS(EC#) | 200-659-6 |
| Molecular Formula | C18H13ClFN3O |
| MDL Number | MFCD00871458 |
| Molecular Weight | 341.77 |
| MOL File | 59468-90-5.mol |
Chemical Properties
| Appearance | White Solid |
| Melting point | 264-266oC |
| Boiling point | 540.6±60.0 °C(Predicted) |
| density | 1.43±0.1 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | 2-8°C |
| solubility | DMF: 2 mg/ml; DMSO: 1 mg/ml |
| form | A crystalline solid |
| pka | 13.59±0.10(Predicted) |
| color | white or off-white |
| Major Application | clinical testing |
| InChI | 1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2 |
| InChIKey | QHSMEGADRFZVNE-UHFFFAOYSA-N |
| SMILES | OCc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-n12 |
Safety Data
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 3 |
| 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 |