HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-4-nitropyridine N-oxide
AURORA 23192 · 3-Bromo-4-nitropyridine 1... · 3-Bromo-4-nitropyridine oxide · 3-BROMO-4-NITROPYRIDINE N-OXIDE · 3-BROMO-4-NITROPYRIDINE 1-OXIDE · 4-nitro-3-bromo pyridine N-oxide · Pyridine, 3-bromo-4-nitro-, 1-oxide · 3-bromo-4-nitro-1-oxidopyridin-1-ium
Identifikatoren & physikalische Daten
| CAS No. | 1678-49-5 |
|---|---|
| Summenformel | C5H3BrN2O3 |
| Durchschnittliche Molmasse | 218,99 g/mol |
| Monoisotopische Masse | 217,93270406 g/mol |
| SMILES | O=[N+]([O-])c1cc[n+]([O-])cc1Br |
| InChIKey | YZQMKADIENBVLH-UHFFFAOYSA-N |
| PubChem CID | 548521 |
| EC No. | 640-759-0 |
| DTXSID | DTXSID40338339 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 160 |
| Schmelzpunkt | 152-154°C |
| Siedepunkt | 393.0±22.0 °C(Predicted) |
| Dichte | 1.98±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at 0-8 °C |
| pKa (Säurekonstante) | -2.19±0.10(Predicted) |
| Löslichkeit | Sparingly Soluble in water (0.92 g/L at 25°C). |
| BRN | 150822 |
| InChI | InChI=1S/C5H3BrN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H |
| InChIKey | YZQMKADIENBVLH-UHFFFAOYSA-N |
| SMILES | C1[N+]([O-])=CC=C([N+]([O-])=O)C=1Br |
| CAS Datenbank | 1678-49-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Zollcode | 2933399990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3-Bromo-4-nitropyridine N-oxide is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.