HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-3-nitroquinoline
3-Nitro-4-chloroquinoline · 4-CHLORO-3-NITROQUINOLINE · 4-Chloro-3-nitroqulinoline · QUINOLINE, 4-CHLORO-3-NITRO- · 4-Chloro-3-nitroquinoline ,98% · 4-Chloro-3-nitroquinoline ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 39061-97-7 |
|---|---|
| Summenformel | C9H5ClN2O2 |
| Durchschnittliche Molmasse | 208,6 g/mol |
| Monoisotopische Masse | 208,00395508 g/mol |
| SMILES | O=[N+]([O-])c1cnc2ccccc2c1Cl |
| InChIKey | ZRFUZDDJSQVQBY-UHFFFAOYSA-N |
| PubChem CID | 11275808 |
| EC No. | 852-888-1 |
| DTXSID | DTXSID60460883 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 231 |
| Schmelzpunkt | 121-122°C |
| Siedepunkt | 333.8±22.0 °C(Predicted) |
| Dichte | 1.484±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -0.28±0.24(Predicted) |
| Farbe | Pale Yellow |
| InChI | InChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H |
| InChIKey | ZRFUZDDJSQVQBY-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C(Cl)=C([N+]([O-])=O)C=1 |
| CAS Datenbank | 39061-97-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Zollcode | 29334900 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
4-Chloro-3-nitroquinoline (cas# 39061-97-7) is a compound useful in organic synthesis.