HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Amino-3-nitropyridine
3-NITROPYRIDIN-4-AMINE · 3-NITRO-4-AMINOPYRIDINE · TIMTEC-BB SBB005533 · 3-Nitropyridin-4-amin · 3-NITRO-4-PYRIDINAMINE · 4-aMine-3-nitropyridine · 4-AMINO-3-NITROPYRIDINE · 4-Pyridinamine, 3-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 1681-37-4 |
|---|---|
| Summenformel | C5H5N3O2 |
| Durchschnittliche Molmasse | 139,11 g/mol |
| Monoisotopische Masse | 139,0381764 g/mol |
| SMILES | Nc1ccncc1[N+](=O)[O-] |
| InChIKey | IUPPEELMBOPLDJ-UHFFFAOYSA-N |
| PubChem CID | 548803 |
| EC No. | 605-505-5 |
| DTXSID | DTXSID40338379 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 84,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 203-207 °C (lit.) |
| Siedepunkt | 255.04°C (rough estimate) |
| Dichte | 1.4551 (rough estimate) |
| Brechungsindex | 1.5900 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 5.02±0.12(Predicted) |
| Farbe | Yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 383710 |
| InChI | InChI=1S/C5H5N3O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H,(H2,6,7) |
| InChIKey | IUPPEELMBOPLDJ-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(N)=C1[N+]([O-])=O |
| CAS Datenbank | 1681-37-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Amino-3-nitropyridine is used as a pharmaceutical intermediate.