HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Cyclohexylanilin
N-CYCLOHEXYLANILINE · N-CyclohexyIaniline · N1-CYCLOHEXYLANILINE · Cyclohexylphenylamine · PHENYL CYCLOHEXYLAMINE · Aniline, N-cyclohexyl- · N-PHENYLCYCLOHEXYLAMINE · N-Cyclohexylaniline,98%
Identifikatoren & physikalische Daten
| CAS No. | 1821-36-9 |
|---|---|
| Summenformel | C12H17N |
| Durchschnittliche Molmasse | 175,27 g/mol |
| Monoisotopische Masse | 175,13609954 g/mol |
| SMILES | c1ccc(NC2CCCCC2)cc1 |
| InChIKey | TXTHKGMZDDTZFD-UHFFFAOYSA-N |
| PubChem CID | 74567 |
| EC No. | 217-344-4 |
| DTXSID | DTXSID6061997 |
| Lokaler Name | N-Cyclohexylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 132 |
| Schmelzpunkt | 14-15°C |
| Siedepunkt | 191-192 °C (73 mmHg) |
| Dichte | 0.996 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.560 |
| Flammpunkt | 136 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 5.46±0.20(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Orange |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 2209864 |
| InChI | InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2 |
| InChIKey | TXTHKGMZDDTZFD-UHFFFAOYSA-N |
| SMILES | C1(NC2CCCCC2)=CC=CC=C1 |
| CAS Datenbank | 1821-36-9(CAS DataBase Reference) |
| EPA chemische Informationen | N-Cyclohexylaniline (1821-36-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (74.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 177 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214900 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-36/37 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N-Cyclohexylaniline has been used as reagent in palladium-catalyzed amination of aromatic bromides. It is also used to produce N-cyclohexyl-N-phenyl-urea at ambient temperature.