HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 295871Erstellt: 27. Oktober 2026
4-(Benzyloxy)pyridine N-oxide
4-BENZYLOXYPYRIDINE-1-OXIDE · 4-(BENZYLOXY)PYRIDINE N-OXIDE · Pyridine,4-(benzyloxy)-,1-oxide · 4-(Benzyloxy)pyridine N-oxide,97% · 4-(Benzyloxy)pyridine N-oxide ,98% · 4-(benzyloxy)-1$l^{5}-pyridin-1-one · 1-oxido-4-phenylmethoxypyridin-1-ium · Pyridine, 4-(phenylmethoxy)-, 1-oxide
https://huagongshe.com/de/chemical/295871
Identifikatoren & physikalische Daten
| CAS No. | 2683-66-1 |
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| Summenformel | C12H11NO2 |
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| Durchschnittliche Molmasse | 201,22 g/mol |
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| Monoisotopische Masse | 201,07897859 g/mol |
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| SMILES | [O-][n+]1ccc(OCc2ccccc2)cc1 |
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| InChIKey | SUSQPKJQYWTFPU-UHFFFAOYSA-N |
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| PubChem CID | 295871 |
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| ChEMBL | CHEMBL1709511 |
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| EC No. | 627-629-9 |
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| DTXSID | DTXSID20304350 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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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 | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 172 |
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| Löslichkeit | >30.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 178-179 °C (dec.)(lit.) |
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| Siedepunkt | 415.3±20.0 °C(Predicted) |
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| Dichte | 1.09±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.25±0.10(Predicted) |
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| BRN | 165005 |
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| InChI | 1S/C12H11NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9H,10H2 |
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| InChIKey | SUSQPKJQYWTFPU-UHFFFAOYSA-N |
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| SMILES | [O-][n+]1ccc(OCc2ccccc2)cc1 |
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| CAS Datenbank | 2683-66-1(CAS DataBase Reference) |
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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 43 reports by companies from 3 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 | 29333990 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36-36/37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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