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Pyridin-1-oxid
Pyridine oxide · PYRIDINE-1-OXIDE · pyridineoxide · Pyridin-N-oxid · Pyridne-N-Oxide · 1-oxidePyridine · N- oxidopyridin · PYRIDINE-N-OXIDE
Identifikatoren & physikalische Daten
| CAS No. | 694-59-7 |
|---|---|
| Summenformel | C5H5NO |
| Durchschnittliche Molmasse | 95,1 g/mol |
| Monoisotopische Masse | 95,03711378 g/mol |
| SMILES | [O-][n+]1ccccc1 |
| InChIKey | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| PubChem CID | 12753 |
| ChEMBL | CHEMBL3278446 |
| ChEBI | CHEBI:29136 |
| EC No. | 211-774-6 |
| DTXSID | DTXSID3061007 |
| Lokaler Name | Pyridin-1-oxid |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 50 |
| Stoffklassen | Nitrogen Compounds -> Amine Oxides |
| Dampfdruck | 0.19 [mmHg] |
| Physical Description | Deliquescent solid[Merck Index] Brown moist crystalline solidHygroscopic[Alfa Aesar MSDS] |
| Schmelzpunkt | 62-67 °C(lit.) |
| Siedepunkt | 270 °C(lit.) |
| Dichte | 1.1418 (rough estimate) |
| Brechungsindex | 1.5939 (estimate) |
| Flammpunkt | 143 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Crystalline Solid, Crystals, and/or Chunks |
| pKa (Säurekonstante) | 0.79(at 24℃) |
| Farbe | White to brownish |
| Löslichkeit | soluble |
| Merck | 14,7972 |
| BRN | 105257 |
| InChI | 1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| SMILES | [O-][n+]1ccccc1 |
| CAS Datenbank | 694-59-7(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 1-oxide(694-59-7) |
| EPA chemische Informationen | Pyridine, 1-oxide (694-59-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Chemical: Pyridine, 1-oxidePyridine, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Oral LD50 (wild birds) = 1 gm/kg[RTECS] A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] See Pyridine. |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| RTECS-Nr. | UT6410000 |
| R-Sätze (R) | 36/37/38-22-40-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-24/25-37/39-36/37/39-22 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediate.