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2,6-Dichloroquinoxaline
Quinoxaline, 2,6-dichloro- · SALOR-INT L300268-1EA · 2,6-DICHLOROQUINOXALINE · 2,6-DICHLOROQUINOXALINE 95% · Quinoxaline, 2,6-dichloro- (6CI,7CI,8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 18671-97-1 |
|---|---|
| Summenformel | C8H4Cl2N2 |
| Durchschnittliche Molmasse | 199,03 g/mol |
| Monoisotopische Masse | 197,97515349 g/mol |
| SMILES | Clc1ccc2nc(Cl)cnc2c1 |
| InChIKey | WFOKVKYNVKVWFK-UHFFFAOYSA-N |
| PubChem CID | 87748 |
| EC No. | 606-094-5 |
| DTXSID | DTXSID3066398 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 165 |
| Schmelzpunkt | 153-157 °C (lit.) |
| Siedepunkt | 278.7±35.0 °C(Predicted) |
| Dichte | 1.486±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -2.42±0.30(Predicted) |
| Farbe | Light Yellow to Brown |
| InChI | InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H |
| InChIKey | WFOKVKYNVKVWFK-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(Cl)=CC=2)N=CC=1Cl |
| CAS Datenbank | 18671-97-1(CAS DataBase Reference) |
| EPA chemische Informationen | Quinoxaline, 2,6-dichloro- (18671-97-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (69.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933998090 |
| R-Sätze (R) | 25-38-41-37/38-22 |
| Gefahrensymbole | T,Xn |
| Sicherheitshinweise (S) | 36/37/39-45-39-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Dichloroquinoxaline is an analogue of 3-amino-7-chloro-1,2,4-benzotriazine 1-oxide, an antimalarial agent.