溴代环己烷 (HCID 7960)

名称与标识

首选名称: Cyclohexyl bromide
IUPAC: bromocyclohexane
中文名: 溴代环己烷
英文名: Bromocyclohexane
分子式: C6H11Br
分子量: 163.06

名称与别名

BROMOCYCLOHEXANE108-85-0Cyclohexyl bromideCyclohexane, bromo-1-BromocyclohexaneYA0UMS4RNYEINECS 203-622-2NSC 11207AI3-28585NSC-11207CYCLOHEXYL BROMIDE [MI]DTXSID1044148

展开更多名称

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-溴环己烷六氢溴(代)苯溴代环己烷/GRCyclohexylbromidBromocylohexanebromo-cyclohexanBroMocyclohexanceCyclohexane,bromo-Cyelohexyl bromideBromocyclohexane>

1BromocyclohexaneCyclohexane, bromoRefChem:580805DTXCID9024148203-622-2InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5Hbromo-cyclohexaneMFCD00003819

数据库标识

CAS: 108-85-0
PubChem CID: 7960
DTXSID: DTXSID1044148
UNII: YA0UMS4RNY
EC Number: 203-622-2
Nikkaji: J5.082B

性质

结构计算性质

XLogP: 3.2
极性表面积: 0 Å²
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

实验与物化性质

Vapor Pressure3.62 [mmHg]

Physical DescriptionLiquid with a penetrating odor; [Merck Index] Colorless liquid with an unpleasant odor; [Acros Organics MSDS]

Kovats Retention Index · 3 条

969；969；1023；970.2；969；969；975

984；1009；1009；1023

1303；1303；1288

物理化学性质

熔点: -57 °C · -57°C
沸点: 166 · 166-167 °C (lit.)
密度: 1.324 g/mL · 1.324 g/mL at 25 °C (lit.)
蒸气密度: 5.62 · 5.62 (vs air)
折射率: 20 · n20/D 1.495(lit.)
闪点: 145 °F · 145 °F
储存条件: Sealed in dry,Room Temperature
溶解度: Miscible with ethanol, ether, acetone, benzene and carbon tetrachloride.
形态: Liquid
比重: 1.33 · approximate 1.33 (20℃)
颜色: Clear colorless to light yellow
气味 (Odor): Unpleasant Odor
水溶解性: insoluble
敏感性: Air & Light Sensitive
Merck: 14 · 14,2730
BRN: 1098373 · 1098373
Henry's Law Constant: 7 · 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
介电常数: 7.9 · 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 · 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

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.

Warning

H227 (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 exposure; Respiratory 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.

危害信息

Regulatory Information · 3 条

Chemical: Cyclohexane, bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906

Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane.

Hazard Classes and CategoriesFlam. Liq. 4 (11.1%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)；Aquatic Chronic 2 (22.2%)

法规信息

Regulatory Information · 3 条

Chemical: Cyclohexane, bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906

Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard

安全数据

F: 8
wgk: 3
tsca: TSCA listed
RTECS号: GU7171700
存储类别: 10 - Combustible liquids
安全说明: 23-24/25-37/39-26
海关编码: 29035990
危险品标志: Xn
危险性类别: Aquatic Chronic 2
危险类别码: 36/37/38-20-18-52

化学与工业

用途与制造

UsesUsed as an intermediate; [REPROTOX]

General Manufacturing InformationCyclohexane, bromo-: ACTIVE

应用领域

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

制备方法 · 2 条

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%。

上下游产品信息

上游原料

氢溴酸环己醇

下游产品

[1,1'-双(二叔丁基膦)二茂铁]二氯化钯 1-环己基哌嗪二氯二(三环己基瞵)钯 1,1'-双(二叔丁基膦)二茂铁 2-二环己膦基-2'-(N,N-二甲胺)-联苯 2-(二环己基膦基)联苯三环己基膦碘环己烷环己胺 2-环己基吡啶二环己基膦氧 3-环己基丙酸

试剂价格

A11593 · 100g: 溴代环己烷, 98% Bromocyclohexane, 98% — 182元
15908 · 1L: 溴代环己烷(99%)Cyclohexyl Bromide, 99%, Thermo Scientific Chemicals — 1191元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

关联笔记

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溴代环己烷

基本信息