Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(2-Bromoethyl)cyclohexane
1-BROMO-2-CYCLOHEXYLETHANE · NSC 6078 · NSC 46808 · 2-Cyclohexylethyl bromide · (2-bromoethyl)-cyclohexane · cyclohexane,(2-bromoethyl)- · Cyclohexane, (2-bromoethyl)- · 2-Cyclohexylethyl bromide,98%
식별자 및 물리적 특성
| CAS No. | 1647-26-3 |
|---|---|
| 분자식 | C8H15Br |
| 평균 분자량 | 191.11 g/mol |
| 단동위원소 질량 | 190.03571 g/mol |
| SMILES | BrCCC1CCCCC1 |
| InChIKey | JRQAAYVLPPGEHT-UHFFFAOYSA-N |
| PubChem CID | 15440 |
| EC No. | 216-712-1 |
| DTXSID | DTXSID9075111 |
화학 및 물리적 성질
| XLogP | 4.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 65 |
| 녹는점 | 57°C |
| 끓는 점 | 209 °C (lit.) |
| 밀도 | 1.221 g/mL at 25 °C (lit.) |
| 굴절률 | 1.4900 |
| 인화점 | 96°C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름(적게), 에틸아세테이트(약간)에 용해됨 |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| BRN | 1919816 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | JRQAAYVLPPGEHT-UHFFFAOYSA-N |
| SMILES | BrCCC1CCCCC1 |
| EPA | Cyclohexane, (2-bromoethyl)- (1647-26-3) |
화학적 성질
2-CYCLOHEXYLETHYL BROMIDE is colourless to yellow liquid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (33.3%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29021900 |
| 위험 문구(R) | 36/38 |
| 안전 문구(S) | 26-36 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-CYCLOHEXYLETHYL BROMIDE is a reagent used in the cross-coupling and Grignard reactions. It is used in the synthesis of immunosuppressive agents consisting of 5-phenylalkoxypsoralens as well as agon ists for human vitamin-D resistant Rickets.
일반 설명
1-Bromo-2-cyclohexylethane is a halogenated hydrocarbon. Reaction of 1-bromo-2-cyclohexylethane with pillar[5]arene has been investigated.