HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-8-nitrochinolin
NSC 163380 · AKOS 92898 · Nitroquinaldine · 8-nitro-quinaldin · 8-NITROQUINALDINE · NITROMETHYLQUINOLINE · Quinaldine, 8-nitro- · 8-Nitro-2-methylquinoline
Identifikatoren & physikalische Daten
| CAS No. | 881-07-2 |
|---|---|
| Summenformel | C10H8N2O2 |
| Durchschnittliche Molmasse | 188,18 g/mol |
| Monoisotopische Masse | 188,0585775 g/mol |
| SMILES | Cc1ccc2cccc([N+](=O)[O-])c2n1 |
| InChIKey | UHPGVDHXHDPYQP-UHFFFAOYSA-N |
| PubChem CID | 13433 |
| ChEMBL | CHEMBL167800 |
| EC No. | 212-919-6 |
| DTXSID | DTXSID30236815 |
| Lokaler Name | 2-Methyl-8-nitrochinolin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 227 |
| LogP (Verteilungskoeffizient) | 1.99 |
| Schmelzpunkt | 138°C |
| Siedepunkt | 323.8±27.0 °C(Predicted) |
| Dichte | 1.298±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Practically insoluble in water |
| pKa (Säurekonstante) | 2.04±0.50(Predicted) |
| Aggregatzustand | crystal |
| Farbe | light brown |
| BRN | 145077 |
| CAS Datenbank | 881-07-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (88.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.4%) |
| TSCA-Inventar-Status | No |
| Zollcode | 29334900 |
| RTECS-Nr. | UZ9830000 |
| R-Sätze (R) | 68-40-36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39-27-24/25 |
Anwendungen & Verwendung
Beschreibung
Das 2-Methyl-8-nitrochinolin bildet gelbe, in Wasser unlösliche Kristalle. Die Substanz besitzt nur wissenschaftliches Interesse.