HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethylanilin
P-ETHYLANILINE · 4-ethylbenzenamine · 4-ethyl-anilin · 4-ETHYLANILINE · aniline,4-ethyl- · To ethyl aniline · Aniline, 4-ethyl- · Aniline, p-ethyl-
Identifikatoren & physikalische Daten
| CAS No. | 589-16-2 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | CCc1ccc(N)cc1 |
| InChIKey | HRXZRAXKKNUKRF-UHFFFAOYSA-N |
| PubChem CID | 11504 |
| EC No. | 209-637-0 |
| DTXSID | DTXSID0022066 |
| Lokaler Name | 4-Ethylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72,6 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -5 °C (lit.) |
| Siedepunkt | 216 °C (lit.) |
| Dichte | 0.975 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.554(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:5.00(+1) (25°C) |
| Farbe | Clear yellow to red-brown |
| Löslichkeit | immiscible |
| BRN | 774319 |
| Henry-Konstante | 3.1×100 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| InChI | 1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3 |
| InChIKey | HRXZRAXKKNUKRF-UHFFFAOYSA-N |
| SMILES | CCc1ccc(N)cc1 |
| CAS Datenbank | 589-16-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Ethylaniline(589-16-2) |
| EPA chemische Informationen | p-Ethylaniline (589-16-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (38.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 4-ethyl-Benzenamine, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (97.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1602 |
| Zollcode | 29214980 |
| RTECS-Nr. | BX9900000 |
| R-Sätze (R) | 23/24/25-33 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 36/37/39-45-36/37-28A |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Ethylaniline can be used as intermediates of liquid crystal.