HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-tert-Butyl-2-nitroaniline
BUTTPARK 52\04-96 · 2-Nitro-4-tert-butylaniline · 4-(tert-Butyl)-2-nitroaniline · 4-tert-Butyl-2-nitrobenzenaMine · 4-tert-Butyl-2-nitro-phenylaMine · 2-Amino-5-(tert-butyl)nitrobenzene · 4-(1,1-Dimethylethyl)-2-nitrobenzenamine · Benzenamine, 4-(1,1-dimethylethyl)-2-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 6310-19-6 |
|---|---|
| Summenformel | C10H14N2O2 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,10552769 g/mol |
| SMILES | CC(C)(C)c1ccc(N)c([N+](=O)[O-])c1 |
| InChIKey | YXTJXBPEGJNGKV-UHFFFAOYSA-N |
| PubChem CID | 80573 |
| EC No. | 228-632-4 |
| DTXSID | DTXSID90212438 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 101-104°C |
| Siedepunkt | 302.8±30.0 °C(Predicted) |
| Dichte | 1.140±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | crystalline powder |
| pKa (Säurekonstante) | 0.43±0.10(Predicted) |
| Farbe | Orange |
| CAS Datenbank | 6310-19-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 2 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 (50%) |
| UN-Transportnummer | 2811 |
| Zollcode | 2921420090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅱ |
Anwendungen & Verwendung
Verwenden
4-(tert-Butyl)-2-nitroaniline is an organic compound commonly used in organic synthesis, especially as a synthetic intermediate in the pharmaceutical and dye industries.