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Chinoxalin
1,4-BENZODIAZINE · Chinoxalin · BENZOPYRAZINE · BENZOPARADIAZINE · 1,4-Naphthyridine · QuinoxaL · Quinazine · Phenpiazine
Identifikatoren & physikalische Daten
| CAS No. | 91-19-0 |
|---|---|
| Summenformel | C8H6N2 |
| Durchschnittliche Molmasse | 130,15 g/mol |
| Monoisotopische Masse | 130,05309819 g/mol |
| SMILES | c1ccc2nccnc2c1 |
| InChIKey | XSCHRSMBECNVNS-UHFFFAOYSA-N |
| PubChem CID | 7045 |
| ChEMBL | CHEMBL39444 |
| ChEBI | CHEBI:36616 |
| EC No. | 202-047-4 |
| DTXSID | DTXSID6049432 |
| Lokaler Name | Chinoxalin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 99,8 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.35 |
| Ionization Efficiency | Positive2.112.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 29-32 °C (lit.) |
| Siedepunkt | 220-223 °C (lit.) |
| Dichte | 1.124 g/mL at 25 °C (lit.) |
| Brechungsindex | nD48 1.6231 |
| Flammpunkt | 209 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | alcohol: freely soluble(lit.) |
| Aggregatzustand | Crystalline Low Melting Solid |
| pKa (Säurekonstante) | 0.56(at 20℃) |
| Farbe | Light yellow to brown |
| Merck | 14,8078 |
| BRN | 109351 |
| Stabilität | Light Sensitive |
| Hauptanwendungen | cleaning productsclinicalcosmeticsenvironmentalfood and beveragespersonal care |
| InChI | 1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H |
| InChIKey | XSCHRSMBECNVNS-UHFFFAOYSA-N |
| SMILES | c1ccc2nccnc2c1 |
| LogP (Verteilungskoeffizient) | 1.320 |
| CAS Datenbank | 91-19-0(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoxaline(91-19-0) |
| EPA chemische Informationen | Quinoxaline (91-19-0) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Quinoxaline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339990 |
| RTECS-Nr. | VD1225000 |
| R-Sätze (R) | 36/37/38-36/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Quinoxaline is a reagent used in the synthesis of quinoxaline diimides as small molecule non-fullerene acceptors for organic solar cells.