HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitro-p-phenetidin
NSC1320 · NSC 1320 · NSC58160 · AI3-08865 · NSC 58160 · SBB000231 · AIDS019471 · AIDS-019471
Identifikatoren & physikalische Daten
| CAS No. | 616-86-4 |
|---|---|
| Summenformel | C8H10N2O3 |
| Durchschnittliche Molmasse | 182,18 g/mol |
| Monoisotopische Masse | 182,06914218 g/mol |
| SMILES | CCOc1ccc(N)c([N+](=O)[O-])c1 |
| InChIKey | ISFYBUAVOZFROB-UHFFFAOYSA-N |
| PubChem CID | 69229 |
| ChEMBL | CHEMBL3185656 |
| EC No. | 210-497-8 |
| DTXSID | DTXSID8022084 |
| Lokaler Name | 2-Nitro-p-phenetidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 181 |
| Schmelzpunkt | 111-113 °C(lit.) |
| Siedepunkt | 346.2±22.0 °C(Predicted) |
| Dichte | 1.264±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C, protect from light |
| pKa (Säurekonstante) | 1.01±0.10(Predicted) |
| InChI | 1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3 |
| InChIKey | ISFYBUAVOZFROB-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(N)c(c1)[N+]([O-])=O |
| CAS Datenbank | 616-86-4(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, 4-ethoxy-2-nitro- (616-86-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29222900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Ethoxy-2-nitroaniline is a biological environmental toxin.