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4-Nitropyridine
4-NITROPYRIDINE · AKOS BBS-00001332 · Pyridine, 4-nitro- · IFLAB-BB F1371-0143 · 4-Nitropyridine 95% · 4-Nitropyridine ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 1122-61-8 |
|---|---|
| Summenformel | C5H4N2O2 |
| Durchschnittliche Molmasse | 124,1 g/mol |
| Monoisotopische Masse | 124,02727737 g/mol |
| SMILES | O=[N+]([O-])c1ccncc1 |
| InChIKey | FEXIEMAAKBNTFK-UHFFFAOYSA-N |
| PubChem CID | 70734 |
| ChEMBL | CHEMBL4577515 |
| EC No. | 849-473-2 |
| DTXSID | DTXSID2074453 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 104 |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (Verteilungskoeffizient) | 0.6 |
| Schmelzpunkt | 500 °C |
| Siedepunkt | 85 °C(Press: 15 Torr) |
| Dichte | 1.313±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 1.61(at 25℃) |
| Farbe | Yellow |
| CAS Datenbank | 1122-61-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Nitropyridine(1122-61-8) |
| EPA chemische Informationen | Pyridine, 4-nitro- (1122-61-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (33.3%) |
| Zollcode | 2933399990 |