
4991-65-5
| Name | Tioxolone |
| CAS | 4991-65-5 |
| EINECS(EC#) | 225-653-0 |
| Molecular Formula | C7H4O3S |
| MDL Number | MFCD00005859 |
| Molecular Weight | 168.17 |
| MOL File | 4991-65-5.mol |
Chemical Properties
| Appearance | light yellow to beige powder |
| Melting point | 158-160 °C(lit.) |
| Boiling point | 267.1°C (rough estimate) |
| density | 1.4844 (rough estimate) |
| refractive index | 1.5151 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | 95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow |
| form | A solid |
| pka | 8.14±0.20(Predicted) |
| color | Light yellow to yellow |
| Water Solubility | 95% ethanol: soluble 50mg/mL, clear to very slightly hazy, colorless to yellow benzene: soluble diethyl ether: soluble isopropanol: soluble propylene glycol: soluble toluene: soluble water: insoluble |
| Merck | 9456 |
| InChI | InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H |
| InChIKey | SLYPOVJCSQHITR-UHFFFAOYSA-N |
| SMILES | O1C2=CC(O)=CC=C2SC1=O |
| LogP | 1.770 (est) |
| CAS DataBase Reference | 4991-65-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Tioxolone(4991-65-5) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | DM2953750 |
| HS Code | 2934999090 |