HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Octylanilin
4-OCTYLANILINE · 4-octyl- · Octylaniline · P-OCTYLANILINE · Einecs 240-358-7 · 4-n-Octylaniline · 4-octylbenzenamine · 4-Octylphenylamine
Identifikatoren & physikalische Daten
| CAS No. | 16245-79-7 |
|---|---|
| Summenformel | C14H23N |
| Durchschnittliche Molmasse | 205,34 g/mol |
| Monoisotopische Masse | 205,18304974 g/mol |
| SMILES | CCCCCCCCc1ccc(N)cc1 |
| InChIKey | ORKQJTBYQZITLA-UHFFFAOYSA-N |
| PubChem CID | 85346 |
| EC No. | 240-358-7 |
| DTXSID | DTXSID6022266 |
| Lokaler Name | 4-Octylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 17°C |
| Siedepunkt | 175 °C/13 mmHg (lit.) |
| Dichte | 0.898 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.516(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 4.96±0.10(Predicted) |
| Farbe | White or Colorles to Yellow to Orange |
| Löslichkeit | Insoluble in water. |
| InChI | InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3 |
| InChIKey | ORKQJTBYQZITLA-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(CCCCCCCC)C=C1 |
| CAS Datenbank | 16245-79-7(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Octylaniline (16245-79-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3082 9 / PGIII |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Octylaniline can be been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It can also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.