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2-Chlor-5-nitropyridin
Chloro-5-nitropyrid · Chloronitropyridine · Piroctone Impurity 3 · 3-PYRIDINOL, 6-CHLORO- · 2-Chlor-5-nitropyridin · 2-choro-5-nitropyridine · Chloronitropyridine,99% · 2-Chloro--nitropyridine
Identifikatoren & physikalische Daten
| CAS No. | 4548-45-2 |
|---|---|
| Summenformel | C5H3ClN2O2 |
| Durchschnittliche Molmasse | 158,54 g/mol |
| Monoisotopische Masse | 157,98830502 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)nc1 |
| InChIKey | BAZVFQBTJPBRTJ-UHFFFAOYSA-N |
| PubChem CID | 78308 |
| EC No. | 224-908-3 |
| DTXSID | DTXSID70196525 |
| Lokaler Name | 2-Chlor-5-nitropyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 105-108 °C (lit.) |
| Siedepunkt | 256.6±20.0 °C(Predicted) |
| Dichte | 1.6616 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | 158°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -4.22±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light yellow to beige |
| Löslichkeit | Solubility in hot methanol. Insoluble in water. |
| BRN | 120453 |
| InChI | InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H |
| InChIKey | BAZVFQBTJPBRTJ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C([N+]([O-])=O)C=C1 |
| CAS Datenbank | 4548-45-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Chloro-5-nitropyridine(4548-45-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14%): 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Pyridine, 2-chloro-5-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (14%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| RTECS-Nr. | US7175000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
2-Chloro-5-nitropyridine is an important intermediate in the synthesis of many drugs, such as the antimalarial drug pyronaridine.
Verwenden
2-Chloro-5-nitropyridine is used as a pharmaceutical intermediate.
Verwenden
2-chloro-5-nitropyridine is an important pyridine derivative and is an intermediate for synthesizing bactericides, plant growth regulators, antibiotics and other medicaments.