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溴代环己烷
溴環己烷 · 六氢溴苯 · 环己基溴 · 溴环己烷 · 溴代环己烷 · 一溴环己烷 · 溴环己基烷 · 1-溴环己烷
标识与物理属性
| CAS No. | 108-85-0 |
|---|---|
| 分子式 | C6H11Br |
| 平均分子量 | 163.06 g/mol |
| 单同位素质量 | 162.00441 g/mol |
| SMILES | BrC1CCCCC1 |
| InChIKey | AQNQQHJNRPDOQV-UHFFFAOYSA-N |
| PubChem CID | 7960 |
| EC No. | 203-622-2 |
| DTXSID | DTXSID1044148 |
| 中文名 | 溴代环己烷 |
化学与物理性质
| XLogP | 3.2 |
|---|---|
| 极性表面积 | 0 |
| 氢键供体 | 0 |
| 氢键受体 | 0 |
| 可旋转键 | 0 |
| 重原子 | 7 |
| 形式电荷 | 0 |
| 复杂度 | 46 |
| 蒸气压 | 3.62 [mmHg] |
| Physical Description | Liquid with a penetrating odor[Merck Index] Colorless liquid with an unpleasant odor[Acros Organics MSDS] |
| Kovats Retention Index | 9691023970.2975984100913031288 |
| 熔点 | -57°C |
| 沸点 | 166-167 °C (lit.) |
| 密度 | 1.324 g/mL at 25 °C (lit.) |
| 蒸气密度 | 5.62 (vs air) |
| 折射率 | n20/D 1.495(lit.) |
| 闪点 | 145 °F |
| 储存条件 | Sealed in dry,Room Temperature |
| 溶解性 | Miscible with ethanol, ether, acetone, benzene and carbon tetrachloride.insoluble |
| 形态 | Liquid |
| 比重 | approximate 1.33 (20℃) |
| 颜色 | Clear colorless to light yellow |
| 气味 | Unpleasant Odor |
| 敏感性 | Air & Light Sensitive |
| Merck | 14,2730 |
| BRN | 1098373 |
| 亨利常数 | 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| 介电常数 | 7.9(25℃) |
| 稳定性 | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | AQNQQHJNRPDOQV-UHFFFAOYSA-N |
| SMILES | BrC1CCCCC1 |
| CAS 数据库 | 108-85-0(CAS DataBase Reference) |
| NIST化学物质信息 | Cyclohexane, bromo-(108-85-0) |
| EPA化学物质信息 | Cyclohexane, bromo- (108-85-0) |
化学性质
无色液体。熔点-56.5℃，沸点166.2℃，45.5℃（1.33kPa），相对密度1.3359（20/4℃），折光率1.4957。闪点62℃。与乙醇、乙醚、丙酮、苯和四氯化碳混溶，不溶于水。有刺激性气味。制备方法：由环乙醇与溴氢酸反应而得：将环乙醇与48%氢溴酸加热回流6h。在反应混合物中加入少量水，分出下层的有机相，用无水氯化钙干燥。蒸馏，收集163-165℃馏分即为成品。产率74%。用途：有机合成中间体。
安全与法规
| GHS 分类 | This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.WarningH227 (11.1%): Combustible liquid [Warning Flammable liquids]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 9 reports by companies.There are 4 notifications provided by 7 of 9 reports by companies with hazard statement code(s).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. |
|---|---|
| 法规信息 | Chemical: Cyclohexane, bromo-Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| 危害概述 | May cause irritation[Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane. |
| Hazard Classes and Categories | Flam. Liq. 4 (11.1%)Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%)Aquatic Chronic 2 (22.2%) |
| F | 8 |
| 水危害等级（WGK） | 3 |
| TSCA 清单状态 | TSCA listed |
| RTECS 号 | GU7171700 |
| 储存类别 | 10 - Combustible liquids |
| 安全说明（S） | 23-24/25-37/39-26 |
| 海关编码 | 29035990 |
| 危险品标志 | Xn |
| 危险类别 | Aquatic Chronic 2 |
| 危险类别码（R） | 36/37/38-20-18-52 |
用途与应用
应用
溴代环己烷为烃类化合物，其可用作重要的有机合成中间体及溶剂, 可用来合成光敏引发剂、格氏试剂、环氧合酶抑制剂, 同时也可作为外部重原子微拢剂及烷基化试剂的链转移剂。
用途
用作有机合成中间体
制备与合成方法
制备
将 0.1mol的溴化钾和一定量的环己醇 、去离子水加入到带有回流冷凝管的磨口三角瓶中, 在磁力加热搅拌器上加热, 搅拌下缓慢滴加浓硫酸, 20min滴加完毕。回流反应至一定时间后, 停止加热, 从冷凝管口加入 30mL水, 使反应瓶中生成的盐全部溶解于水中, 将反应瓶中的物料倒入分液漏斗中分液,有机相用饱和碳酸氢钠溶液洗涤后, 再用水洗涤至中性, 得粗产品, 经气相色谱分析无任何副产物;粗产品用无水硫酸镁干燥, 收集 166℃ ～ 167℃的馏分, 得到浅黄色液体产品溴代环己烷。
生产方法
由环乙醇与溴氢酸反应而得：将环乙醇与48%氢溴酸加热回流6h。在反应混合物中加入少量水，分出下层的有机相，用无水氯化钙干燥。蒸馏，收集163-165℃馏分即为成品。产率74%。