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2-Chlor-3-methyl-5-nitropyridin
2-CHLORO-5-NITRO-3-PICOLINE · 2-C · BUTTPARK 95\50-52 · TIMTEC-BB SBB003831 · 2-Chloro-5-nitro-3-picoline,98% · 2-CHLORO-5-NITRO-3-METHYLPYRIDINE · 2-CHLORO-3-METHYL-5-NITROPYRIDINE · 2-Chloro-5-nitro-3-picoline, 98% 1GR
Identifikatoren & physikalische Daten
| CAS No. | 22280-56-4 |
|---|---|
| Summenformel | C6H5ClN2O2 |
| Durchschnittliche Molmasse | 172,57 g/mol |
| Monoisotopische Masse | 172,00395508 g/mol |
| SMILES | Cc1cc([N+](=O)[O-])cnc1Cl |
| InChIKey | OSIOIGXJUZTWRI-UHFFFAOYSA-N |
| PubChem CID | 89648 |
| EC No. | 244-889-5 |
| DTXSID | DTXSID70176827 |
| Lokaler Name | 2-Chlor-3-methyl-5-nitropyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | 45-50 °C |
| Siedepunkt | 145 °C / 18mmHg |
| Dichte | 1.5610 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | >110°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | -3.61±0.10(Predicted) |
| Farbe | Light beige to cream |
| InChI | InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3 |
| InChIKey | OSIOIGXJUZTWRI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C([N+]([O-])=O)C=C1C |
| CAS Datenbank | 22280-56-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (87.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-20/21/22-41-37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-39 |
| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Chloro-3-methyl-5-nitropyridine is a nitropyridine compound, mainly used as an organic synthetic raw material or pharmaceutical intermediate.