十六烷基-3-甲基咪唑氯化物 | 61546-01-8

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 十六烷基-3-甲基咪唑氯化物
• 中文别名: 氯化1-十六烷基-3-甲基咪唑
• 英文名称: 1-hexadecyl-3-methylimidazolium chloride
• 英文别名: 1-hexadecyl-3-methylimidazol-3-ium;chloride
• CAS: 61546-01-8
• 化学式: C₂₀H₃₉N₂*Cl
• 分子量: 342.996
• InChiKey: ZCPPLZJPPBIWRU-UHFFFAOYSA-M

物化性质

• 熔点：
  64-65 °C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 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：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放于惰性气体中，并避免接触湿气（吸湿）。

SDS

Name:	1-Hexadecyl-3-Methylimidazolium Chloride Material Safety Data Sheet
Synonym:	None Known
CAS:	61546-01-8

Section 1 - Chemical Product MSDS Name:1-Hexadecyl-3-Methylimidazolium Chloride Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61546-01-8	1-Hexadecyl-3-Methylimidazolium Chlori	ca. 100	unlisted

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

---

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.

---

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. Wash mouth out with 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.

---

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.

---

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.

---

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 cool, dry place. Store in a tightly closed container.
Store protected from moisture.

---

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# 61546-01-8: 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.

---

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: Not available.
Molecular Formula: C20H39ClN2
Molecular Weight: 343.00

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 61546-01-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Hexadecyl-3-Methylimidazolium Chloride - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

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.

---

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# 61546-01-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61546-01-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61546-01-8 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  十六烷基-3-甲基咪唑氯化物 在 氢氟酸 作用下， 生成
  参考文献：
  名称：

  烷基链长对1-烷基-3-甲基咪唑鎓氟化氢离子液晶性能的影响

  摘要：

  通过热分析，偏光光学显微镜，红外光谱对一系列1-烷基-3-甲基咪唑鎓氟氢化盐（C x MIm（FH）2 F，x = 8、10、12、14、16和18）进行了表征，X射线衍射和各向异性离子电导率测量。从C 10到C 18观察到具有近晶A叉指状双层结构的液晶中间相，显示出扇状或焦点圆锥形纹理。中间相的温度范围随烷基链长度的增加而增加（从C 10 MIm（FH）2 F的10.1°C到C 18 MIm（FH）2的123.1°CF）。近晶结构中两层之间的距离随着烷基链长度的增加而逐渐增加，而随着温度的升高而减小。平行于近晶层的电导率约为10 mS cm -1，而与烷基链长无关，而垂直于近晶层的电导率随烷基链长的增加而降低，这是因为具有较长烷基链的绝缘片越厚。

  DOI：

  10.1002/chem.201001364
• 作为产物：
  描述：

  氯代十六烷 以25.7 g (89.6%)的产率得到十六烷基-3-甲基咪唑氯化物
  参考文献：
  名称：

  Alkylation process

  摘要：

  这项发明涉及一种芳烃烷基化的过程，通过在离子液体的存在下，将芳香烃与烯烃反应，所述离子液体包括（a）化合物R.sub.n MX.sub.3-n的公式，其中R是C1-C6烷基基团，M是铝或镓，X是卤素原子，n为0、1或2，以及（b）烃基取代咪唑盐卤或烃基取代吡啶盐卤，其中咪唑盐卤中的至少一个烃基取代物是具有1-18个碳原子的烷基基团。该过程允许从离子液体中轻松分离反应产物，并提高了烷基化产物的选择性。

  公开号：

  US05994602A1
• 作为试剂：
  描述：

  dimethyl bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate 在 十六烷基-3-甲基咪唑氯化物 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以100%的产率得到邻苯二甲酸二甲酯
  参考文献：
  名称：

  Metal-free activation of C–C multiple bonds through halide ion pairs: Diels–Alder reactions with subsequent aromatization

  摘要：

  Imidazolium and ammonium halides, both in homogeneous phase or immobilized on mesoporous silica, proved able to promote the aromatization reaction of Diels-Alder adducts under ethylene and H(2) elimination. These observations point to the increased nucleophilicity of such halide ions. They also open the possibility to employ such ion pairs as nucleophilic organocatalysts, for example, as substitutes for phosphines or amines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.027

文献信息

• Imidazolium-based ionic liquids for asphaltene dispersion; experimental and computational studies
  作者：A.N. El-hoshoudy、A. Ghanem、S.M. Desouky

  DOI：10.1016/j.molliq.2020.114698

  日期：2021.2

  petroleum processing owing to blockage of the wellbores and formation of tough emulsions that diminishes the recovered oil amount. As a result, the petroleum industry resorts to asphaltene dispersants to overcome these challenges. In this regard, ionic liquids (ILs) can be utilized as a green chemistry alternative to the surfactants to prevent asphaltene aggregation in the petroleum feed stream. Ionic liquids

  预计含沥青质的重质和沥青原油将弥补未来几天常规石油产量的下降。由于井眼堵塞和形成坚韧的乳状液（减少了采出的石油量），沥青质沉淀对石油加工有害。结果，石油工业诉诸于沥青质分散剂以克服这些挑战。在这方面，离子液体（IL）可以用作表面活性剂的绿色替代品，以防止沥青质在石油原料流中聚集。离子液体是环境的，可回收的和非腐蚀性的候选物质，它们通过在界面处分散或替换沥青质分子来破坏或破坏油中的水（W / O）或油中的水（O / W）乳状液。也，∗与沥青质骨料的相互作用。在这项工作中，通过将氯化铁（III）与不同的卤代烷基咪唑鎓盐混合，可以合成不同的ILs盐及其修饰的路易斯酸结构，产率分别为73.56％，72.9％和71.12％。热重分析表明合成的ILs在463°C时具有热稳定性。在模拟的高压高温（HPHT）条件下，研究了临界胶束浓度（CMC）和界面张力（IFT）。IL在1000、800和600 ppm时显示出CMC值，而在298
• Preparation of poly(tetramethylene) glycol
  申请人：Harmer Andrew Mark

  公开号：US20070066852A1

  公开（公告）日：2007-03-22

  This invention relates to a process comprising using ionic liquids for preparing poly(tetramethylene) glycol from tetrahydrofuran.

  该发明涉及一种使用离子液体制备聚(四亚甲基)乙二醇的过程，该乙二醇是从四氢呋喃中制备而来的。
• Alkylation of aromatic compounds
  申请人：Harmer Andrew Mark

  公开号：US20070100184A1

  公开（公告）日：2007-05-03

  The present invention relates to the synthesis of alkylated aromatic compounds using ionic liquids as the solvent. Alkylated aromatic compounds are synthesized by reacting an aromatic compound with a monoolefin in the presence of an acid catalyst.

  本发明涉及使用离子液体作为溶剂合成烷基芳香化合物。通过在酸催化剂的存在下将芳香化合物与单烯烃反应来合成烷基芳香化合物。
• Preparation of polytrimethylene ether glycol and copolymers thereof
  申请人：Harmer Andrew Mark

  公开号：US20070066854A1

  公开（公告）日：2007-03-22

  The present invention relates to a process comprising using ionic liquids for the polycondensation of 1,3-propanediol reactants to produce polytrimethylene ether glycol and copolymers thereof.

  本发明涉及一种使用离子液体进行1,3-丙二醇原料的聚合反应，生产聚三亚甲基醚乙二醇及其共聚物的工艺。
• Ionic liquids
  申请人：Harmer Andrew Mark

  公开号：US20070066822A1

  公开（公告）日：2007-03-22

  Compositions of matter useful as ionic liquids of the formula Z + A − , wherein Z + is a cation selected from the group consisting of pyridinium, pyridazinium, pyrimidinium, pyrazinium, imidazolium, pyrazolium, thiazolium, oxazolium, triazolium, and phosphonium, ammonium cations with specified substituents, and A − is selected from the group consisting of the following three anions wherein R 11 , R 12 and R 13 are as specified. R 11 —CHF—CF 2 —SO 3 − Formula I R 12 —CF 2 —CF 2 —SO 3 − Formula II (R 13 —CHF—CF 2 —SO 2 ) 2 N − Formula III

  具有离子液体Z+A−的物质组成，其中Z+是从吡啶基、吡啶并咪唑基、嘧啶基、吡嗪基、咪唑啉基、吡嗪啉基、噻唑啉基、噁唑啉基、三唑啉基和磷铵中选择的阳离子，以及具有指定取代基的铵阳离子，A−是从以下三种阴离子中选择的一种，其中R11、R12和R13如指定。R11—CHF—CF2—SO3−（式I）R12—CF2—CF2—SO3−（式II）R13—CHF—CF2—SO2)2N−（式III）