1-十二烷基-3-甲基咪唑氯盐 | 114569-84-5

• 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: 1-十二烷基-3-甲基咪唑氯盐
• 中文别名: 1-十二烷基-3-甲基氯化铵
• 英文名称: 1-dodecyl-3-methylimidazol-1-ium chloride
• 英文别名: 1-dodecyl-3-methylimidazolium chloride；1-dodecyl-3-methyl-3H-imidazolium chloride；[C₁₂MIM]Cl；1-dodecyl-3-methylimidazol-3-ium;chloride
• CAS: 114569-84-5
• 化学式: C₁₆H₃₁N₂*Cl
• 分子量: 286.889
• InChiKey: OPXNHKQUEXEWAM-UHFFFAOYSA-M

物化性质

• 熔点：
  96.63 °C
• 稳定性/保质期：
  <p>遵照规定使用和储存，则不会分解。</p>

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 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：
  P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	1-Dodecyl-3-methylimidazolium chloride Material Safety Data Sheet
Synonym:	None
CAS:	114569-84-5

Section 1 - Chemical Product MSDS Name:1-Dodecyl-3-methylimidazolium chloride Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
114569-84-5	1-Dodecyl-3-methylimidazolium chloride	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. 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.

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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 cool, dry place. Store in a tightly closed container.
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# 114569-84-5: 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: Not available.
Molecular Formula: C16H31ClN2
Molecular Weight: 286.89

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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:
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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 114569-84-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Dodecyl-3-methylimidazolium chloride - 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# 114569-84-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 114569-84-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 114569-84-5 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：

  1-十二烷基-3-甲基咪唑氯盐 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 1-dodecyl-3-methylimidazolium hydroxide
  参考文献：
  名称：

  过氧化铌催化烯丙醇的选择性环氧化

  摘要：

  在冰浴条件下，在没有任何其他溶剂的情况下，制备了改性的过氧化铌，并用于过氧化氢催化烯丙醇的环氧化。用离子液体1-十二烷基-3-甲基咪唑鎓氢氧化物或常规的十四烷基三甲基氢氧化铵表面活性剂改性的过氧化铌，即使烯丙基醇环氧化成其环氧化物，即使反应在没有其他任何反应的情况下，也表现出优异的收率（80-99％）。溶剂在0°C下放置0.5小时。催化剂的表征表明，表面活性剂分子通过弱的非共价相互作用被锚定在铌催化剂的表面上。与过氧化铌相比，

  DOI：

  10.1002/cctc.201402545
• 作为产物：
  描述：

  1-氯十二烷 以19.4 g (86.1%)的产率得到1-十二烷基-3-甲基咪唑氯盐
  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：

  4-溴苯乙酮 、 苯基三氟硼酸钾 在 palladium diacetate 、 potassium carbonate 、 1-十二烷基-3-甲基咪唑氯盐 作用下， 以 乙醇 、 水 为溶剂， 反应 15.0h， 生成 联苯单乙酮
  参考文献：
  名称：

  铃木在水介质中的交叉偶联

  摘要：

  我们报告了在纯水和水性介质中无配体以及配体辅助的Suzuki反应的简单有效的程序。使用苯基硼...可以成功进行交叉偶联反应

  DOI：

  10.1039/c5gc00794a

文献信息

• Ionic Liquid-Based Microemulsions in Catalysis
  作者：Mahtab Hejazifar、Martyn Earle、Kenneth R. Seddon、Stefan Weber、Ronald Zirbs、Katharina Bica

  DOI：10.1021/acs.joc.6b02165

  日期：2016.12.16

  The design and properties of surface-active ionic liquids that are able to form stable microemulsions with heptane and water are presented, and their promise as reaction media for thermomorphic palladium-catalyzed cross-coupling reactions is demonstrated.

  介绍了能够与庚烷和水形成稳定微乳液的表面活性离子液体的设计和性质，并证明了它们作为热定形钯催化交叉偶联反应的反应介质的前景。
• 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。
• [EN] PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DIALKYLÉTHERS À PARTIR D'ALCOOLS
  申请人：DU PONT

  公开号：WO2009032963A1

  公开（公告）日：2009-03-12

  Processes for preparing dialkyl ethers from C4 to C8 straight-chain alcohols using an ionic liquid.

  使用离子液体从C4到C8直链醇制备二烷醚的过程。
• 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。