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4-Chlorpyridin-N-oxid
4-Chloropyridine 1-oxide · TH 285N · AURORA KA-3011 · Chloropyridineoxide · 4-Chloropyridine oxide · 4-CHLOROPYRIDINE N-OXIDE · 4-Chloropuridine N-oxide · 4-Chloro-pyridine1-oxide
Identifikatoren & physikalische Daten
| CAS No. | 1121-76-2 |
|---|---|
| Summenformel | C5H4ClNO |
| Durchschnittliche Molmasse | 129,54 g/mol |
| Monoisotopische Masse | 128,99814143 g/mol |
| SMILES | [O-][n+]1ccc(Cl)cc1 |
| InChIKey | DPJVRASYWYOFSJ-UHFFFAOYSA-N |
| PubChem CID | 70724 |
| ChEMBL | CHEMBL3186776 |
| EC No. | 214-336-2 |
| DTXSID | DTXSID0041513 |
| Lokaler Name | 4-Chlorpyridin-N-oxid |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70,8 |
| Collision Cross Section | 121.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0041513] |
| Schmelzpunkt | 160 °C (dec.) (lit.) |
| Siedepunkt | 310.0±15.0 °C(Predicted) |
| Dichte | 1.27±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0+-.0.10(Predicted) |
| Farbe | White to Light yellow to Light orange |
| InChI | InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H |
| InChIKey | DPJVRASYWYOFSJ-UHFFFAOYSA-N |
| SMILES | C1[N+]([O-])=CC=C(Cl)C=1 |
| CAS Datenbank | 1121-76-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chloropyridine-N-oxide(1121-76-2) |
| EPA chemische Informationen | 4-Chloropyridine 1-oxide (1121-76-2) |
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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloropyridine N-Oxide can be used for electronic transmission material which can be used to prepare an electronic transport layer that is comprised in an electronic device which makes up a stable display device.