HuagongsheHuagongshe Chemistry Print Report · For research reference only
9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid
1 SULFOANTHRAQUINONE · -Sulphoanthraquinone · ALPHA-SULFOANTHRAQUINONE · 1-ANTHRAQUINONE SULFONATE · anthraquinone 1-sulfonate · 1-Anthraquinonesulfonicaci · Anthraquinone-1-sulfonicacid · 1-ANTHRAQUINONESULFONIC ACID

Identifiers & Physical Properties
| CAS No. | 30637-95-7 |
|---|---|
| Molecular formula | C14H8O5S |
| Average molar mass | 288.28 g/mol |
| Monoisotopic mass | 288.00924436 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O |
| InChIKey | JAJIPIAHCFBEPI-UHFFFAOYSA-N |
| PubChem CID | 6713 |
| EC No. | 201-427-7 |
| DTXSID | DTXSID8058877 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 96.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 532 |
| pKa (acidity coefficient) | pK1: 0.27 (25°C) |
| CAS DataBase Reference | 82-49-5(CAS DataBase Reference) |
| FDA UNII | 9FW580K11J |
| EPA Substance Registry System | 1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo- (82-49-5) |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| Regulatory information | Chemical: 1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo- |
|---|---|
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| TSCA inventory status | TSCA listed |
Applications & Uses
Uses
1-Anthraquinonesulfonic Acid Potassium Salt is a related compound of Anthraquinone(A679245). Anthraquinone is an important precursor for many drugs.