1,2-二甲基-3-乙基咪唑溴盐 | 98892-76-3

• 物质功能分类: 化学试剂 - 有机试剂 - 离子液体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,2-二甲基-3-乙基咪唑溴盐
• 中文别名: 1,2-二甲基-3-乙基溴化咪唑
• 英文名称: 1-Ethyl-2-methyl-3-methylimidazolium bromide
• 英文别名: 1,2-dimethyl-3-ethylimidazolium bromide；1-ethyl-2,3-dimethylimidazolium bromide；3-ethyl-1,2-dimethylimidazolium bromide；[EDmim][Br]；[1-ethyl-2,3-dimethylimidazolium]Br；BMImCl；1-ethyl-2,3-dimethylimidazol-3-ium;bromide
• CAS: 98892-76-3
• 化学式: Br*C₇H₁₃N₂
• 分子量: 205.098
• InChiKey: GITMVCYKHULLDM-UHFFFAOYSA-M

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.36
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  29332990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存于阴凉干燥处

SDS

Name:	1-Ethyl-2 3-Dimethylimidazolium Bromide Material Safety Data Sheet
Synonym:	None Known
CAS:	98892-76-3

Section 1 - Chemical Product MSDS Name:1-Ethyl-2 3-Dimethylimidazolium Bromide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
98892-76-3	1-Ethyl-2,3-Dimethylimidazolium Bromid	ca. 100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 98892-76-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H13BrN2
Molecular Weight: 205.1

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 98892-76-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Ethyl-2,3-Dimethylimidazolium Bromide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 98892-76-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 98892-76-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98892-76-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2-二甲基-3-乙基咪唑溴盐 在 potassium tert-butylate 、 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 ethyl-3-methyl-2-methylenimidazoline
  参考文献：
  名称：

  N-杂环烯烃-二氧化碳和-二氧化硫加合物：结构和有趣的反应模式

  摘要：

  根据溶液中甲醇的含量，已发现N杂环卡宾（NHC）和N杂环烯烃（NHO）的CO 2加合物与相应的碳酸甲酯盐[EMIm] [OCO 2 ]完全可逆平衡。Me]和[EMMIm] [OCO 2 Me]。已经研究了代表性的1-乙基-3-甲基-NHO-CO 2加合物4的反应模式，并将其与相应的NHC-CO 2两性离子进行了比较：4用HX质子化生成咪唑鎓盐[NHO-CO 2 H ] [X]，它在亲核催化剂的存在下脱羧成[EMMIm] [X]。NHO–CO 2两性离子4可以作为对CH酸（如乙腈）的有效羧化剂。形成的[EMMIm]氰基乙酸盐和[EMMIm] 2氰基丙二酸盐是与NHO活化的CO 2的第一个C-C键形成羧化反应的例证。游离的NHO与碳酸二甲酯的反应选择性地产生了甲氧基羰基化的NHO，这是合成功能化IL [NHO-CO 2 Me] [X]的理想前体。合成了第一个NHO-SO 2加合物并对其结构进行

  DOI：

  10.1002/chem.201602973
• 作为产物：
  描述：

  1,2-二甲基咪唑 、 溴乙烷 生成 1,2-二甲基-3-乙基咪唑溴盐
  参考文献：
  名称：

  用于在银上捕获 CO2 并将其电化学转化为 CO 的双功能离子液体

  摘要：

  CO 2的电化学转化需要选择性催化剂和CO 2在电解质中的高溶解度，以减少能量需求并提高电流效率。在本研究中，在含有 0.1 M [EMIM][2-CNpyr]（1-乙基-3-甲基咪唑鎓 2-氰基吡咯）（一种反应性离子液体）的乙腈基电解质中，在银电极上发生 CO 2还原反应 (CO 2 RR) (IL)，显示可以在至少12小时内以稳定的电流密度(6 mA·cm –2 )选择性地(>94%)将CO 2转化为CO。线性扫描伏安实验表明，当添加[EMIM][2-CNpyr]时，乙腈中CO 2还原的起始电位正移240 mV。这归因于CO 2通过[EMIM] +阳离子的卡宾中间体形成羧酸盐以及通过与亲核[2-CNpyr] -阴离子结合形成氨基甲酸盐而预活化。通过表面增强拉曼光谱 (SERS) 对电极-电解质界面的分析证实了功能化 IL 的催化作用，其中 IL-CO 2加合物在 -1.7 和 -2.3

  DOI：

  10.1021/acscatal.3c01538
• 作为试剂：
  描述：

  氧杂蒽 在 水 、 1,2-二甲基-3-乙基咪唑溴盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 占吨醇
  参考文献：
  名称：

  咪唑鎓自由基介体选择性电化学氧化苯甲基 C–H 生成苯甲醇

  摘要：

  苄基 C-H 选择性氧化为苄基醇是化学界众所周知的挑战，因为苄基 C-H 更容易被过度氧化为苄基酮。在这项工作中，我们报告了在离子液体溶液中的未分割电池中，苄基 C–H 高度选择性电氧化为苄醇。例如，在溴化咪唑鎓/H 2 O/DMF中，克级的呫吨（一种典型的苄基 C-H 化合物）完全转化时，对呫吨醇的选择性可高达 95.7% 。机理研究表明，原位产生的咪唑自由基参与了质子耦合电子转移过程，并且低势垒氢键稳定了反应中间体，共同控制了氧化还原平衡，有利于苄醇而不是苄酮。

  DOI：

  10.1021/jacs.3c09907

文献信息

• High stability diionic liquid salts
  申请人：Armstrong W. Daniel

  公开号：US20060025598A1

  公开（公告）日：2006-02-02

  The present invention relates to diionic liquid salts of dicationic or dianionic molecules, as well as solvents comprising diionic liquids and the use of diionic liquids as the stationary phase in a gas chromatographic column.

  本发明涉及双阳离子或双阴离子分子的双离子液体盐，以及包含双离子液体的溶剂，以及将双离子液体用作气相色谱柱中的固定相的用途。
• Solvent-free aza-Markovnikov and aza-Michael additions promoted by a catalytic amount of imidazolide basic ionic liquids
  作者：Xuewei Chen、Xuehui Li、Hongbing Song、Yu Qian、Furong Wang

  DOI：10.1016/j.tetlet.2011.04.117

  日期：2011.7

  A family of imidazolide ionic liquids were synthesized and characterized. These ionic liquids combined the virtues of strong basicity and relatively good thermal stability. Catalytic properties of these imidazolide ionic liquids were investigated and satisfactory yield was achieved when 2.0 mol % of [Bmim]Im was used as catalyst for aza-Markovnikov addition under solvent-free condition at room temperature

  合成并表征了咪唑类离子液体家族。这些离子液体结合了强碱性和相对良好的热稳定性的优点。研究了这些咪唑化物离子液体的催化性能，当在室温下在无溶剂条件下，于一小时内将2.0 mol％的[Bmim] Im用作aza-Markovnikov加成催化剂时，获得了令人满意的产率。实验结果表明，[Bmim] Im /咪唑与乙烯基酯之间不形成氢键，并且[Bmim] Im催化的氮杂-马尔可夫尼可夫加成反应也不是必须存在的。提出了[Bmim] Im催化aza-Markovnikov加成反应的可能机理。还研究了咪唑化物离子液体在氮杂-迈克尔加成中的使用。
• [EN] POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF<br/>[FR] LIQUIDES IONIQUES POLYMÈRES, LEURS PROCÉDÉS DE FABRICATION ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV TOLEDO

  公开号：WO2010017563A1

  公开（公告）日：2010-02-11

  Polymeric ionic liquids, methods of making and methods of using the same are disclosed.

  聚合物离子液体的制备方法和使用方法被披露。
• 마이크로리엑터를 사용한 카르복실산 음이온을 갖는 이온성 액체의 제조방법
  申请人：HLB PHARMACEUTICAL CO., LTD. 에이치엘비제약 주식회사(119981110698) Corp. No ▼ 110111-1538391BRN ▼208-81-25623

  公开号：KR20160026982A

  公开（公告）日：2016-03-09

  본 발명은 마이크로리엑터를 사용하여 카르복실산 음이온을 가지는 이온성 액체의 제조방법에 관한 것이다. 더 상세하게는 본 발명은 소듐부타노에이트, 소듐 2-에틸헥사노에이트, 소듐옥타노에이트를 양이온인 1-알킬-3-메틸이미다졸리움, 1,1-알킬메틸피롤리디늄, 1,2-디메틸-3-알킬이미다졸리움, 1-알킬-3-메틸피리디늄, 테트라메틸암모늄에 치환반응하여 그림 1과 같은 카르복실산 음이온을 갖는 이온성 액체를 고효율로 제조하는 방법에 관한 것이다. 본 발명에 따라 제조된 이온성 액체는 잔류 할라이드를 10ppm미만으로 함유하는 고순도로, 전기 전도성이 높아 전해질 및 콘덴서용으로도 사용될 수 있다.

  This invention relates to a method for producing an ionic liquid containing carboxylic acid anions using a microreactor. More specifically, the invention relates to a method for efficiently producing an ionic liquid with carboxylic acid anions, as shown in Figure 1, by substituting sodium butanoate, sodium 2-ethylhexanoate, and sodium octanoate with cations such as 1-alkyl-3-methylimidazolium, 1,1-alkylmethylpyrrolidinium, 1,2-dimethyl-3-alkylimidazolium, 1-alkyl-3-methylpyridinium, and tetramethylammonium through substitution reactions. The ionic liquid produced according to this invention is of high purity, containing residual halides of less than 10 ppm, and has high electrical conductivity, making it suitable for use as an electrolyte and in capacitors.
• Ionic liquids promote PCR amplification of DNA
  作者：Yugang Shi、Yen-Liang Liu、Peng-Yeh Lai、Ming-Chung Tseng、Min-Jen Tseng、Yudong Li、Yen-Ho Chu

  DOI：10.1039/c2cc31740k

  日期：——

  A bicyclic imidazolium ionic liquid (4d), [b-4C-im][Br], was found to be highly effective not only for promoting PCR of GC-rich DNA by minimizing non-specific amplification, but also for facilitating PCR of normal-GC DNA under mild conditions.

  一种双环咪唑离子液体（4d），[b-4C-im][Br]，被发现不仅能够有效促进高GC含量DNA的PCR，通过减少非特异性扩增来实现，还能在温和条件下促进正常GC含量DNA的PCR。