HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2,6-Trihydroxy-9,10-anthracenedione
C.I.58240 · Mordant Red 4 · Flavopurpurin · C.I.Mordant Red 4 · Alizarine Red YCAP · C.I.Mordant Red 4:C.I.58240 · 1,2,6-Trihydroxyanthraquinone · 2,7,8-trihydroxyanthraquinone
Identifikatoren & physikalische Daten
| CAS No. | 82-29-1 |
|---|---|
| Summenformel | C14H8O5 |
| Durchschnittliche Molmasse | 256,21 g/mol |
| Monoisotopische Masse | 256,03717335 g/mol |
| SMILES | O=C1c2cc(O)ccc2C(=O)c2c1ccc(O)c2O |
| InChIKey | QWPVOAUJFKGLQA-UHFFFAOYSA-N |
| PubChem CID | 65739 |
| ChEBI | CHEBI:37489 |
| DTXSID | DTXSID5052753 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 407 |
| Schmelzpunkt | 330°C |
| Siedepunkt | 359.45°C (rough estimate) |
| Dichte | 1.3683 (rough estimate) |
| Brechungsindex | 1.4825 (estimate) |
| pKa (Säurekonstante) | 6.59±0.20(Predicted) |
Herstellung & Synthese
synthetische
commonly known as yellow, purple hormone (Flavopurpurin). 9,10-Dioxo-9,10-dihydroanthracene-2,6-disulfonic acidunder pressure and Sodium hydroxide and Potassium chlorate and Sodium nitrate or Potassium nitrate heating, and at the same time will be generated 2, 6 – dihydroxyanthraquinone separation open.