Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-사이클로헥실아닐린
4-사이클로헥실아닐린 · P-CYCLOHEXYLANILINE · BUTTPARK 92\50-68 · 4-Cyclohexylaniline · Aniline, p-cyclohexyl- · 4-cyclohexylbenzenamine · 4-Cyclohexylaniline,97% · 4-cyclohexylibenzenamine
식별자 및 물리적 특성
| CAS No. | 6373-50-8 |
|---|---|
| 분자식 | C12H17N |
| 평균 분자량 | 175.27 g/mol |
| 단동위원소 질량 | 175.13609954 g/mol |
| SMILES | Nc1ccc(C2CCCCC2)cc1 |
| InChIKey | JLNMBIKJQAKQBH-UHFFFAOYSA-N |
| PubChem CID | 80764 |
| ChEMBL | CHEMBL4780820 |
| EC No. | 228-918-9 |
| DTXSID | DTXSID60213154 |
| 현지명 | 4-사이클로헥실아닐린 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 141 |
| SpringerMaterials Properties | Chemical structure |
| LogP(분배 계수) | 3.65 |
| 녹는점 | 53 °C |
| 끓는 점 | 166 °C |
| 밀도 | 1.013 |
| 굴절률 | 1.5610 (estimate) |
| 인화점 | 110°C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | 4.96±0.10(Predicted) |
| 용해도 | 물에 불용성. |
| 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 |
안전 및 규제
| GHS 분류 | 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%) |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 2921490090 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-37/39 |
| 포장분류 | III |
| 위험 등급 | 6.1 |
| 위험 참고 사항 | Harmful |
용도
용도
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.