HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-Acridon
ACRIDONE · indenone · 9-Acridone · 9,10-DIHYDRO-9-OXOACRIDINE · ACRIDON · 9-ACRIDANONE · 9(10H)-ACRIDANONE · 10H-ACRIDIN-9-ONE
Identifikatoren & physikalische Daten
| CAS No. | 578-95-0 |
|---|---|
| Summenformel | C13H9NO |
| Durchschnittliche Molmasse | 195,22 g/mol |
| Monoisotopische Masse | 195,06841391 g/mol |
| SMILES | O=c1c2ccccc2[nH]c2ccccc12 |
| InChIKey | FZEYVTFCMJSGMP-UHFFFAOYSA-N |
| PubChem CID | 2015 |
| ChEMBL | CHEMBL436589 |
| ChEBI | CHEBI:50756 |
| EC No. | 209-434-7 |
| DTXSID | DTXSID8060371 |
| Lokaler Name | 9-Acridon |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 239 |
| Stoffklassen | Dyes -> Acridine Dyes |
| SpringerMaterials Properties | Angular frequency |
| Löslichkeit | 4.7 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)Insoluble in benzene, chloroform, ether, water and ethanol. |
| Physical Description | Crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 331.88°C (rough estimate) |
| Dichte | 1.1266 (rough estimate) |
| Brechungsindex | 1.6060 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | -0.30±0.30(Predicted) |
| Farbe | Yellow |
| BRN | 7104 |
| InChI | 1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15) |
| InChIKey | FZEYVTFCMJSGMP-UHFFFAOYSA-N |
| SMILES | O=C1c2ccccc2Nc3ccccc13 |
| CAS Datenbank | 578-95-0(CAS DataBase Reference) |
| NIST chemische Informationen | 9,l0-Dihydro-9-oxoacridine(578-95-0) |
| EPA chemische Informationen | 9(10H)-Acridinone (578-95-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Acridine. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| RTECS-Nr. | AR6976000 |
| R-Sätze (R) | 36/37/38-22-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
9(10H)-Acridone is a catabolic product of carbamazepine (C175840) metabolite and can be used as a fluorescent tag for antibody catalysis.