HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 253821Erstellt: 27. Oktober 2026
6-Methoxyquinoline N-oxide
Quinoline, 6-methoxy-, 1-oxide · Nsc77096 · TIMTEC-BB SBB005919 · Bedaquiline Impurity 75 · 6-Methoxyquinolin N-oxide · 6-Methoxyquinoline N-oxide · 6-METHOXYQUINOLINE N-OXIDE 98% · 6-methoxy-1-oxidoquinolin-1-ium
https://huagongshe.com/de/chemical/253821
Identifikatoren & physikalische Daten
| CAS No. | 6563-13-9 |
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| Summenformel | C10H9NO2 |
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| Durchschnittliche Molmasse | 175,18 g/mol |
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| Monoisotopische Masse | 175,06332853 g/mol |
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| SMILES | COc1ccc2c(ccc[n+]2[O-])c1 |
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| InChIKey | BWEGRKPOJXNZSK-UHFFFAOYSA-N |
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| PubChem CID | 253821 |
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| ChEMBL | CHEMBL1877646 |
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| ChEBI | CHEBI:170026 |
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| EC No. | 623-543-0 |
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| DTXSID | DTXSID00291678 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 34,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 174 |
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| Schmelzpunkt | 102-104 °C (lit.) |
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| Siedepunkt | 340.1±34.0 °C(Predicted) |
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| Dichte | 1.16±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 0.66±0.30(Predicted) |
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| Farbe | White to Yellow to Orange |
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| InChI | 1S/C10H9NO2/c1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h2-7H,1H3 |
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| InChIKey | BWEGRKPOJXNZSK-UHFFFAOYSA-N |
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| SMILES | COc1ccc2[n+]([O-])cccc2c1 |
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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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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