HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-4-nitropyridine
4-Nitro-2-chloropyridine · 2-Chl · AURORA 23245 · AKOS BBS-00001358 · 2-Chloro-4-nitropyri · OTAVA-BB BB7017520053 · 2-chloro-4-nitropyrine · 2-Choro-4-nitropyridine
Identifikatoren & physikalische Daten
| CAS No. | 23056-36-2 |
|---|---|
| Summenformel | C5H3ClN2O2 |
| Durchschnittliche Molmasse | 158,54 g/mol |
| Monoisotopische Masse | 157,98830502 g/mol |
| SMILES | O=[N+]([O-])c1ccnc(Cl)c1 |
| InChIKey | LIEPVGBDUYKPLC-UHFFFAOYSA-N |
| PubChem CID | 735152 |
| EC No. | 627-980-8 |
| DTXSID | DTXSID50352743 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 52-56 °C (lit.) |
| Siedepunkt | 258.4±20.0 °C(Predicted) |
| Dichte | 1.489±0.06 g/cm3(Predicted) |
| Flammpunkt | 223 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -1.93±0.10(Predicted) |
| Aggregatzustand | crystalline powder |
| Farbe | Yellow |
| BRN | 120418 |
| InChI | InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H |
| InChIKey | LIEPVGBDUYKPLC-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC([N+]([O-])=O)=C1 |
| CAS Datenbank | 23056-36-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-nitropyridine is used in the preparation of (thio)barbituric acid derivatives in the treatment of obesity related non-alcoholic fatty liver disease. As well it is used in the production of selective and potent MET Kinase inhibitors.