HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Dodecylanilin
4-n-Dodecylamine · 4-DODECYLANILINE · P-DODECYLANILINE · 4-N-DODECYLANILINE · PARA DODECYL ANILINE · 4-dodecyl-benzenamin · 4-Dodecylphenylamine · 4-Dodecylaniline 97%
Identifikatoren & physikalische Daten
| CAS No. | 104-42-7 |
|---|---|
| Summenformel | C18H31N |
| Durchschnittliche Molmasse | 261,4 g/mol |
| Monoisotopische Masse | 261,24564999 g/mol |
| SMILES | CCCCCCCCCCCCc1ccc(N)cc1 |
| InChIKey | KLPPPIIIEMUEGP-UHFFFAOYSA-N |
| PubChem CID | 7701 |
| EC No. | 203-201-3 |
| DTXSID | DTXSID8021858 |
| Lokaler Name | 4-Dodecylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 7,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 182 |
| Schmelzpunkt | 35-39 °C (lit.) |
| Siedepunkt | 220-221 °C/15 mmHg (lit.) |
| Dichte | 0.8907 (estimate) |
| Brechungsindex | 1.5080 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.95±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Light yellow to Light orange |
| BRN | 2646305 |
| InChI | 1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3 |
| InChIKey | KLPPPIIIEMUEGP-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCc1ccc(N)cc1 |
| CAS Datenbank | 104-42-7(CAS DataBase Reference) |
| NIST chemische Informationen | P-dodecylaniline(104-42-7) |
| EPA chemische Informationen | p-Dodecylaniline (104-42-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 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 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 2921.49.4500 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Acute 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Dodecylaniline has been used: in the synthesis of sodium 4-dodecylphenylazosulfonate, to investigate the water solubilization of single-walled carbon nanotubes (SWNTs), in proton transfer step during molecular oxygen (O2) reduction by decamethylferrocene (DMFc).