1-十八烷基-3-甲基氯化咪唑翁 | 171058-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-十八烷基-3-甲基氯化咪唑翁
• 英文名称: 1-octadecyl-3-methylimidazolium chloride
• 英文别名: 1-octadecyl-3-methylimidazol-3-ium chloride；1-methyl-3-n-octadecylimidazolium chloride；1-methyl-3-octadecylimidazolium chloride；NSC 747269；NSC747269；1-methyl-3-octadecyl imidazolium chloride；3-Methyl-1-octadecylimidazolium chloride；1-methyl-3-octadecylimidazol-1-ium;chloride
• CAS: 171058-19-8
• 化学式: C₂₂H₄₃N₂*Cl
• 分子量: 371.05
• InChiKey: LCXGSWXECDJESI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  25
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 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

SDS

Name:	1-Octadecyl-3-Methylimidazolium Chloride Material Safety Data Sheet
Synonym:	None Known
CAS:	171058-19-8

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

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
171058-19-8	1-Octadecyl-3-Methylimidazolium Chlori	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. 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# 171058-19-8: 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.

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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: C22H43ClN2
Molecular Weight: 371.05

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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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 171058-19-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Octadecyl-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# 171058-19-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 171058-19-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 171058-19-8 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：

  1-十八烷基-3-甲基氯化咪唑翁 在 六氟磷酸钾 作用下， 以 水 为溶剂， 生成 1-甲基-3-十八烷基-1H-咪唑-3-鎓六氟磷酸盐
  参考文献：
  名称：

  Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (CxMImAF6, x = 14, 16 and 18; A = P, As, Sb, Nb and Ta)

  摘要：

  一系列 1-烷基-3-甲基咪唑鎓六氟复合物盐（CxMImAF6，x = 14、16 和 18，A = P、As、Sb、Nb 和 Ta）已通过热分析、X 射线衍射和偏振光学显微镜进行了表征。在所有 C16MIm 和 C18MIm 盐中都观察到了液晶介相。C14MIm+ 阳离子只有在与 PF6- 反应时才会产生液晶介相。液晶介相的温度范围随着烷基链长度的增加或阴离子尺寸的减小而增大。单晶 X 射线衍射显示，所有 C18MImAF6 盐（A = P、As、Sb、Nb 和 Ta）在结晶相中彼此同构，并具有层状结构。在零下 100 ℃ 的结晶相中，阳离子的相互咬合的烷基链在咪唑环附近呈勺状弯曲，相对于咪唑头基和阴离子的薄片呈倾斜状。温度升高会增加全反式构象与结晶相中弯曲构象的比例。X 射线衍射和偏振光学显微镜表明，液晶介相具有共晶 A2 结构。由于较小的阴离子与咪唑头基团的库仑相互作用较强，层间距离随阴离子尺寸的减小而增大，从而导致相互咬合的部分减小，层间距增大。

  DOI：

  10.1039/c2dt11693f
• 作为产物：
  描述：

  N-甲基咪唑 、 氯代十八烷 以 乙腈 为溶剂， 反应 72.0h， 生成 1-十八烷基-3-甲基氯化咪唑翁
  参考文献：
  名称：

  具有阳离子敏化六核钼簇复合阴离子发光的结晶和液晶有机-无机杂化盐

  摘要：

  盐 [Cnmim]2[Mo6Cl14]（mim = 甲基咪唑鎓；n = 4、6、12、16、18）已通过 CnmimCl 与 MoCl2 的反应获得。热分析显示熔点随着阳离子的烷基链长度的增加而降低。n = 6-18 的咪唑鎓氯钼酸盐 (II) 在 340 °C 以上分解；[C18mim]2[Mo6Cl14] 在高达 390 °C 的温度下具有热稳定性。所有化合物都对大气成分不敏感。在较高熔点的盐 [Cnmim]2[Mo6Cl14] (n = 4, 6) 中，可以获得高质量的单晶。单晶 X 射线结构分析清楚地表明团簇复合阴离子 [Mo6Cl14]2– 具有电子精确八面体 {Mo6} 团簇。对于 [C4mim]2[Mo6Cl14]，获得了两种在阳离子烷基侧链构象上不同的多晶型物。具有 gauche 构象的热力学稳定性较差的修饰经历了单向相变到具有全反式构象的更稳定的形式。n = 16 和 18

  DOI：

  10.1002/ejic.201100365

文献信息

• Gold imidazolium-based ionic liquids, efficient catalysts for cycloisomerization of γ-acetylenic carboxylic acids
  作者：Florentina Neaţu、Vasile I. Pârvulescu、Véronique Michelet、Jean-Pierre Gênet、Alexandre Goguet、Christopher Hardacre

  DOI：10.1039/b812580e

  日期：——

  Ionic liquid stabilized gold(III) chloride is shown to be a very active catalyst in the cyclization of sterically hindered and unhindered acetylenic carboxylic acid substrates even in the absence of a base.

  离子液体稳定的氯金酸(III)被证明在无碱性条件下，对于空间位阻和非位阻的炔基羧酸底物进行环化反应时，是一种非常活跃的催化剂。
• 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。