HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2(1H)-Pyridinone, 3,5-dinitro-
3,5-dinitropyridin-2(1H)-one · NSC52198 · NSC 52198 · ST5409024 · ZINC01683863 · Oprea1_319758 · 551945_ALDRICH · AURORA KA-2998
Identifikatoren & physikalische Daten
| CAS No. | 2980-33-8 |
|---|---|
| Summenformel | C5H3N3O5 |
| Durchschnittliche Molmasse | 185,09 g/mol |
| Monoisotopische Masse | 185,0072702 g/mol |
| SMILES | O=c1[nH]cc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChIKey | KSZZJOXNRQKULB-UHFFFAOYSA-N |
| PubChem CID | 76324 |
| EC No. | 629-225-8 |
| DTXSID | DTXSID1062754 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 121 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 344 |
| Schmelzpunkt | 175-179 °C (lit.) |
| Siedepunkt | 319.28°C (rough estimate) |
| Dichte | 1.8469 (rough estimate) |
| Brechungsindex | 1.5900 (estimate) |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 4.41±0.10(Predicted) |
| Aggregatzustand | solid |
| BRN | 196025 |
| InChI | 1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9) |
| InChIKey | KSZZJOXNRQKULB-UHFFFAOYSA-N |
| SMILES | Oc1ncc(cc1[N+]([O-])=O)[N+]([O-])=O |
| CAS Datenbank | 2980-33-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2(1H)-Pyridinone, 3,5-dinitro- (2980-33-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.4%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29337900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-hydroxy-3,5-dinitropyridine may be used in the preparation of bis([μ]-3,5-dinitro-pyridin-2-olato)bis-[tetra-aqua-(3,5-dinitro-pyridin-2-olato)barium(II)].