HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-4-nitropyridin-1-oxid
2-CHLORO-4-NITROPYRIDINE-N-OXIDE · AURORA 23245 · AKOS BBS-00001358 · OTAVA-BB BB7017520053 · 2-Chloro-4-nitropyridi · 2-Chlor-4-nitropyridin-1-oxid · 4-Chloro-3-nitropyridine-N-oxide · 2-CHLORO-4-NITROPYRIDINE 1-OXIDE
Identifikatoren & physikalische Daten
| CAS No. | 14432-16-7 |
|---|---|
| Summenformel | C5H3ClN2O3 |
| Durchschnittliche Molmasse | 174,54 g/mol |
| Monoisotopische Masse | 173,9832197 g/mol |
| SMILES | O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1 |
| InChIKey | YSTCMHHKDOVZDA-UHFFFAOYSA-N |
| PubChem CID | 84433 |
| EC No. | 238-404-6 |
| DTXSID | DTXSID80162675 |
| Lokaler Name | 2-Chlor-4-nitropyridin-1-oxid |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 160 |
| Schmelzpunkt | 151-155 °C (lit.) |
| Siedepunkt | 405.9±25.0 °C(Predicted) |
| Dichte | 1.62±0.1 g/cm3(Predicted) |
| Flammpunkt | 223 °F |
| Lagerbedingungen | 2-8°C, sealed storage, away from moisture |
| pKa (Säurekonstante) | -2.53±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | Light orange to Yellow to Green |
| BRN | 145697 |
| InChI | 1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H |
| InChIKey | YSTCMHHKDOVZDA-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc[n+]([O-])c(Cl)c1 |
| CAS Datenbank | 14432-16-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (91.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (91.1%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-28 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-nitropyridine 1-oxide serves as a reagent for nucleophilic substitution with amines in ethanol under microwave irradiation at 100 °C to form pyridine N-oxides[1].