HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Cyclohexylanilin
P-CYCLOHEXYLANILINE · BUTTPARK 92\50-68 · 4-Cyclohexylaniline · Aniline, p-cyclohexyl- · 4-cyclohexylbenzenamine · 4-Cyclohexylaniline,97% · 4-cyclohexylibenzenamine · BenzenaMine,4-cyclohexyl-
Identifikatoren & physikalische Daten
| CAS No. | 6373-50-8 |
|---|---|
| Summenformel | C12H17N |
| Durchschnittliche Molmasse | 175,27 g/mol |
| Monoisotopische Masse | 175,13609954 g/mol |
| SMILES | Nc1ccc(C2CCCCC2)cc1 |
| InChIKey | JLNMBIKJQAKQBH-UHFFFAOYSA-N |
| PubChem CID | 80764 |
| ChEMBL | CHEMBL4780820 |
| EC No. | 228-918-9 |
| DTXSID | DTXSID60213154 |
| Lokaler Name | 4-Cyclohexylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 141 |
| SpringerMaterials Properties | Chemical structure |
| LogP (Verteilungskoeffizient) | 3.65 |
| Schmelzpunkt | 53 °C |
| Siedepunkt | 166 °C |
| Dichte | 1.013 |
| Brechungsindex | 1.5610 (estimate) |
| Flammpunkt | 110°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.96±0.10(Predicted) |
| Löslichkeit | Insoluble in water. |
| BRN | 2965799 |
| InChI | InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2 |
| InChIKey | JLNMBIKJQAKQBH-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(C2CCCCC2)C=C1 |
| CAS Datenbank | 6373-50-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.4%): 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 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%) |
| UN-Transportnummer | 2811 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 36/37/38 |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-Cyclohexylaniline is used as a starting material for the preparation of 1-cyclohexyl-4-nitroso-benzene. It is used as a reactant in nucleophilic acylation to form N-(4-cyclohexylphenyl)acetamide by reacting with acetyl halides. It is also involved in the synthesis of N-(4-cyclohexylphenyl)-2-morpholino-acetamide by reaction with 2-morpholinoacetyl fluoride. Further, it reacts with 4-bromo-4-oxo-butanoic acid to get 4-[(4-cyclohexylphenyl)amino]-4-oxo-butanoic acid.