
13739-02-1
| Name | 1,8-Diacetoxy-3-carboxyanthraquinone |
| CAS | 13739-02-1 |
| EINECS(EC#) | 237-310-2 |
| Molecular Formula | C19H12O8 |
| MDL Number | MFCD00468030 |
| Molecular Weight | 368.29 |
| MOL File | 13739-02-1.mol |
Chemical Properties
| Appearance | Yellow Crystalline Solid |
| Melting point | 217-2180C |
| Boiling point | 631.5±55.0 °C(Predicted) |
| density | 1.491±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| form | neat |
| pka | 3.01±0.20(Predicted) |
| color | Light Yellow to Yellow |
| Water Solubility | 240μg/L at 25℃ |
| Usage | A diacetyl derivative of Rhein. Demonstrates anti-arthritic activity without inhibiting prostaglandin synthesis. Antiarthritic |
| Merck | 14,2960 |
| InChI | InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25) |
| InChIKey | TYNLGDBUJLVSMA-UHFFFAOYSA-N |
| SMILES | C1=C2C(C(=O)C3=C(C2=O)C=CC=C3OC(C)=O)=C(OC(C)=O)C=C1C(O)=O |
| LogP | 3.126 (est) |
| CAS DataBase Reference | 13739-02-1(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) | ![]() GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | CB8781000 |
| REACH Registrations | Active |
| HS Code | 29146990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |
