HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methoxy-2-nitroanilin
BUTTPARK 148\07-49 · 6-Nitro-m-anisidine · 3-AMINO-4-NITROANISOLE · 3-Methoxy-6-nitroaniline · 5-Methoxy-2-nitroaniline · Esomeprazole Impurity 140 · Amylmetacresol Impurity 11 · 5-Methoxy-2-nitroaniline>5-Methoxy-2-nitrobenzenamine
Identifikatoren & physikalische Daten
| CAS No. | 16133-49-6 |
|---|---|
| Summenformel | C7H8N2O3 |
| Durchschnittliche Molmasse | 168,15 g/mol |
| Monoisotopische Masse | 168,05349212 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])c(N)c1 |
| InChIKey | QEHVRGACCVLLNN-UHFFFAOYSA-N |
| PubChem CID | 85300 |
| EC No. | 240-293-4 |
| DTXSID | DTXSID90167116 |
| Lokaler Name | 5-Methoxy-2-nitroanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 131°C |
| Siedepunkt | 337.07°C (rough estimate) |
| Dichte | 1.2089 (estimate) |
| Brechungsindex | 1.6010 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -0.61±0.25(Predicted) |
| Farbe | Yellow |
| InChI | InChI=1S/C7H8N2O3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3 |
| InChIKey | QEHVRGACCVLLNN-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(OC)=CC=C1[N+]([O-])=O |
| CAS Datenbank | 16133-49-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.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 | Skin Sens. 1 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2922290090 |
| R-Sätze (R) | 20/21/22-36/37/38-43 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
5-Methoxy-2-nitrobenzenamine is used in the synthesis of methoxybenzimidazole compounds as inhibitors of PI3K, used in the therapeutic treatment of cancer. Also used in the synthesis of NR2B-selective NMDA receptor antagonists in the treatment of a range of nervous system disorders