HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Anthraquinonecarboxylic acid
10-Dihydro-9 · 2-CARBOXYANTHRAQUINONE · ANTHRAQUINONE-2-CARBOXYLATE · 2-ANTHRAQUINONECARBOXYLIC ACID · ANTRAQUINONE-2-CARBOXYLIC ACID · ANTHRAQUINONE-2-CARBOXYLIC ACID · BETA-ANTHRAQUINONE CARBOXYLIC AID · Anthraquinone-2-carboxylic acid 98%
Identifikatoren & physikalische Daten
| CAS No. | 117-78-2 |
|---|---|
| Summenformel | C15H8O4 |
| Durchschnittliche Molmasse | 252,22 g/mol |
| Monoisotopische Masse | 252,04225874 g/mol |
| SMILES | O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O |
| InChIKey | ASDLSKCKYGVMAI-UHFFFAOYSA-N |
| PubChem CID | 67030 |
| ChEMBL | CHEMBL455581 |
| EC No. | 204-207-9 |
| DTXSID | DTXSID70151659 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 428 |
| Schmelzpunkt | 287-289 °C (lit.) |
| Siedepunkt | 355.4°C (rough estimate) |
| Dichte | 1.469 |
| Brechungsindex | 1.4872 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in hot Acetic acid(almost transparency). |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | pK1: 3.42 (20°C) |
| Farbe | White to Amber |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19) |
| InChIKey | ASDLSKCKYGVMAI-UHFFFAOYSA-N |
| SMILES | C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1C(O)=O |
| CAS Datenbank | 117-78-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24481 |
| Hazard Classes and Categories | Muta. 2 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29183000 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Anthraquinone 2-carboxylic acid (AQ) as a novel electron shuttling mediator and attached electron relay for HRP. Efficient method for the generation of hydrogen peroxide by aerobic photooxidation of 2-propanol using anthraquinone-2-carboxylic acid and molecular oxygen is investigated.