15879-93-3
| Name | alpha-Chloralose |
| CAS | 15879-93-3 |
| EINECS(EC#) | 240-016-7 |
| Molecular Formula | C8H11Cl3O6 |
| MDL Number | MFCD00005542 |
| Molecular Weight | 309.53 |
| MOL File | 15879-93-3.mol |
Chemical Properties
| Appearance | needle-like crystals or powder |
| Melting point | 178-182 °C |
| alpha | 18 º (c=2, 95% C2H5OH) |
| Boiling point | 424.33°C (rough estimate) |
| density | 1.6066 (rough estimate) |
| vapor pressure | Negligible at room temperature |
| refractive index | 1.5320 (estimate) |
| solubility | ethanol: 10 mg/mL or yellow-brown, clear to slightly hazy, colorless to faintly yellow |
| form | neat |
| pka | 12.89±0.60(Predicted) |
| color | White to Almost white |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| Optical Rotation | [α]20/D +17±2°, 5 hr, c = 2% in ethanol |
| Water Solubility | 0.44 g/100 mL (15 ºC) |
| Merck | 14,2072 |
| BRN | 85418 |
| InChI | 1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1 |
| InChIKey | OJYGBLRPYBAHRT-IPQSZEQASA-N |
| SMILES | OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3249 |
| WGK Germany | 1 |
| RTECS | FM9450000 |
| TSCA | Yes |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29400090 |
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Acute Tox. 4 Inhalation Aquatic Acute 1 Aquatic Chronic 1 STOT SE 3 |
| Safety Profile | |
| Toxicity |