1-癸基-3-甲基咪唑双（三氟甲烷磺酰）亚胺盐 | 433337-23-6

• 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-癸基-3-甲基咪唑双（三氟甲烷磺酰）亚胺盐
• 中文别名: 1-癸基-3-甲基咪唑双三氟甲磺酰亚胺盐；1-癸基-3-甲基咪唑二(三氟甲烷磺酰基)酰亚胺；1-癸基-3-甲基咪唑双(三氟甲磺酰基)亚胺盐
• 英文名称: 1-decyl-3-methylimidazolium bis-trifluormethanesulfonimide
• 英文别名: 1-decyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide；1-n-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide；1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide；1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide；1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide；1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide；bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
• CAS: 433337-23-6
• 化学式: C₂F₆NO₄S₂*C₁₄H₂₇N₂
• 分子量: 503.53
• InChiKey: ZYVGZWFCGPUVSH-UHFFFAOYSA-N

物化性质

• 熔点：
  -19°C(lit.)
• 沸点：
  726.6 °C
• 密度：
  1.2828 (20 º)

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  31
• 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：
  94.8
• 氢给体数：
  0
• 氢受体数：
  11

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P321,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

SDS

1-Decyl-3-methylimidazolium Revision number: 5
Bis(trifluoromethanesulfonyl)imide
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
Signal word No signal word
Hazard statements None
Precautionary statements: None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components: 1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide
>98.0%(LC)(T)
Percent:
CAS Number: 433337-23-6
Chemical Formula: C16H27F6N3O4S2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Remove/Take off immediately all contaminated clothing. Rinse skin with
Skin contact:
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
1-Decyl-3-methylimidazolium
Bis(trifluoromethanesulfonyl)imide

---

Section 5. FIRE-FIGHTING MEASURES
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colour: Pale yellow - Yellow
Odour: No data available
pH: No data available
Melting point/freezing point:-19°C
No data available
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.29
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
1-Decyl-3-methylimidazolium
Bis(trifluoromethanesulfonyl)imide

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Section 10. STABILITY AND REACTIVITY
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride, Sulfur
products: oxides

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. Observe all federal, state and local
regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not listed
UN-No:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
1-Decyl-3-methylimidazolium
Bis(trifluoromethanesulfonyl)imide

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,3-二丙氧基冠醚 、 1-癸基-3-甲基咪唑双（三氟甲烷磺酰）亚胺盐 在 cesium chloride 作用下， 以 辛醇 、 水 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Crystallization of cesium complex containing bis(2-propyloxy)calix[4]crown-6 and bis[(trifluoromethyl)sulfonyl]imide

  摘要：

  A complex of Cs+ with the calixcrown bis(2-propyloxy)calix[4]crown-6 (BPC6) and bis[(trifluoromethyl)sulfonyl]imide (NTf2-), an anion of ionic liquid (IL), was crystallized in the interface region between n-octanol and water. The compound was characterized by single crystal X-ray diffraction, ESI-MS, FT-IR, TGA and PXRD. Cs+ is coordinated with BPC6 by both the six oxygen atoms of the crown and the cation-pi interactions, and with the anion NTf2- via one oxygen atom of the sulfonyl group. This single crystal explains the good extraction ability of BPC6 to Cs+ and reflects a coordinating interaction of NTf2- with the deficient complex [Cs center dot BPC6](+) during the extraction with an IL as diluent. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.005
• 作为产物：
  描述：

  1-氯癸烷 以 水 为溶剂， 反应 72.25h， 生成 1-癸基-3-甲基咪唑双（三氟甲烷磺酰）亚胺盐
  参考文献：
  名称：

  长链烷基化咪唑基氯化物和双（三氟甲磺酰基）亚胺离子液体的理化性质

  摘要：

  在这项研究中，六种长链咪唑基离子液体（IL）的合成，纯化和表征，包括带有氯和NTf 2的C 10，C 12和C 14烷基链对阴离子进行了研究。使用NMR，CHNSO和DSC对所有这些研究的IL进行了表征，并报道了一些杂质，例如水，氯化物和金属含量。还研究了在283.15至363.15 K范围内合成的IL的一些物理化学性质（例如密度，动态和运动粘度，折射率，表面张力和热稳定性）的温度依赖性，并将结果与​​文献进行了比较。 。而且，使用测量的数据，计算出IL的热膨胀系数和摩尔极化率。另一方面，解释了烷基链长度和阴离子的影响。结果表明，尽管折射率和粘度随烷基链长度的增加而增加，密度和表面张力结果相应降低。此外，结果表明合成的离子液体是燃料添加剂的最佳选择。

  DOI：

  10.1021/acs.jced.7b00242
• 作为试剂：
  描述：

  4-氟-alpha,alpha-二苯基苯甲醇 在 4-甲基吡啶 、 乙酰氯 、 1-癸基-3-甲基咪唑双（三氟甲烷磺酰）亚胺盐 作用下， 以 正己烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  伪包封—增强离子液体中反应性的纳米域

  摘要：

  域受限：1-烷基-3-甲基咪唑鎓离子液体中的极性和非极性域可通过反应物的假包封影响反应结果，这已被探索用于使用阳离子底物和一系列亲核试剂的亲核取代反应。观察到的显着速率提高与离子液体极性域中极性反应物的浓度相关。（[C n MIM] = 1-烷基-3-甲基咪唑鎓）。

  DOI：

  10.1002/anie.201206113

文献信息

• Transition-Metal-Free Synthesis of Perdeuterated Imidazolium Ionic Liquids by Alkylation and H/D Exchange
  作者：Ralf Giernoth、Dennis Bankmann

  DOI：10.1002/ejoc.200700784

  日期：2008.6

  Economic, transition-metal-free syntheses of partially or completely deuterated imidazolium ionic liquids (ILs) were developed. Double alkylation starting from imidazole afforded side-chain deuterated imidazolium ionic liquids, which subsequently were fully deuterated by H/D-exchange on the cation ring. Isotopic exchange was studied for a range of ionic liquids, solvents and bases. Here, the presence

  开发了部分或完全氘化的咪唑鎓离子液体 (IL) 的经济、无过渡金属合成。从咪唑开始的双烷基化得到侧链氘代咪唑鎓离子液体，随后通过阳离子环上的 H/D 交换完全氘化。研究了一系列离子液体、溶剂和碱的同位素交换。在这里，发现少量碱性杂质的存在会显着影响交换行为。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
• Sonochemical Synthesis of 0D, 1D, and 2D Zinc Oxide Nanostructures in Ionic Liquids and Their Photocatalytic Activity
  作者：Tarek Alammar、Anja-Verena Mudring

  DOI：10.1002/cssc.201100263

  日期：2011.12.16

  Ultrasound synthesis of zinc oxide from zinc acetate and sodium hydroxide in ionic liquids (ILs) is a fast, facile, and effective, yet highly morphology‐ and size‐selective route to zinc oxide nanostructures of various dimensionalities. No additional organic solvents, water, surfactants, or templating agents are required. Depending on the synthetic conditions, the selective manufacturing of 0D, 1D, and 2D

  在离子液体（ILs）中由乙酸锌和氢氧化钠超声合成氧化锌是一种快速，简便，有效，但形态和尺寸选择性高的方法，可用于制备各种尺寸的氧化锌纳米结构。不需要其他有机溶剂，水，表面活性剂或模板剂。根据合成条件，可以选择性制造0D，1D和2D ZnO纳米结构：尽管通常有利于形成棒状结构，但可以在强碱性条件下或通过使用具有长烷基的ILs来获得ZnO纳米颗粒。链，例如1- n-烷基-3-甲基咪唑双（三氟甲磺酰基）酰亚胺（[C n mim] [Tf 2 N]; n> 8）。短的超声照射时间有利于ZnO纳米片的形成。长时间的照射会导致ZnO纳米片转变为纳米棒。相比之下，离子热合成（常规加热）不允许通过改变IL或其他合成条件来调整形态，因为所需的更长的反应时间总是导致形成具有棱柱形尖端的发达的六角形纳米晶体。超声合成的ZnO纳米结构是甲基橙光降解的有效光催化剂。对于在[C 10 mim] [Tf 2 N]中获得
• Liquid-liquid interfacial tension of equilibrated mixtures of ionic liquids and hydrocarbons
  作者：Héctor Rodríguez、Alberto Arce、Ana Soto

  DOI：10.1007/s11426-012-4663-1

  日期：2012.8

  in the anion of the ionic liquid. Also, the interfacial tension with the aromatic hydrocarbons is markedly lower than that with the aliphatic hydrocarbons. A smaller effect is caused by variation of the size of the hydrocarbon. Some of the observed trends can be explained from the mutual solubility of the hydrocarbon and the ionic liquid.

  离子液体是通过液-液萃取分离芳族和脂族烃的可能替代溶剂。界面张力是液-液萃取过程设计中要考虑的重要属性。在这项工作中，已经测量了一系列离子液体和烃类的两相平衡混合物的液-液界面张力和在25°C下的互溶性。特别是离子液体1-烷基-3-甲基咪唑双（三氟甲基-次磺酰基）酰亚胺（烷基取代基为乙基，己基或癸基），1-乙基-3-甲基咪唑乙基硫酸盐和1-乙基-3-甲基咪唑鎓选择了甲磺酸盐以及烃类苯，己烷，乙苯和辛烷。选定的离子液体和碳氢化合物组可以分析一系列作用对界面张力的影响。例如，界面张力随着阳离子的烷基取代基链的长度的增加或离子液体的阴离子中电荷离域度的增加而降低。而且，与芳族烃的界面张力明显低于与脂族烃的界面张力。较小的影响是由碳氢化合物的大小变化引起的。一些观察到的趋势可以由烃和离子液体的互溶性解释。界面张力随着阳离子的烷基取代基链长度的增加或离子液体阴离子中电荷离域度的增加而降低。而且，与芳
• Nanoreactors stable up to 200 °C: a class of high temperature microemulsions composed solely of ionic liquids
  作者：Yuanchao Pei、Jie Ru、Kaisheng Yao、Lihui Hao、Zhiyong Li、Huiyong Wang、Xingqi Zhu、Jianji Wang

  DOI：10.1039/c8cc02901f

  日期：——

  A class of microemulsions solely consisting of ionic liquids was shown to maintain nanoscale droplets up to about 200 °C, and this unique property was used to prepare porous Pt where the microemulsions played the roles of a solvent, a template and a reductant.

  一种仅由离子液体组成的微乳液类别被证明可以在约200°C时保持纳米级液滴，这一独特性质被用来制备多孔铂，其中微乳液充当了溶剂、模板和还原剂的角色。
• Further understanding of the multiple equilibria interaction pattern between ionic liquid and β-cyclodextrin
  作者：Jingjing Zhang、Jianfeng Shi、Xinghai Shen

  DOI：10.1007/s10847-013-0354-6

  日期：2014.8

  C10mimTf2N, and C12mimTf2N form both 1:1 and 1:2 inclusion complexes, the latter of which are mainly attributed to the formation of the Cnmim+–2β-CD complexes. Besides, Tf2N− only forms the 1:1 complex with β-CD owing to a charge resonance structure that breaks the symmetry of the structure of Tf2N−, which is proved by Fourier transform infrared spectra. The thermodynamic parameters obtained by ITC reveal

  离子液体 1-烷基-3-甲基咪唑鎓双（三氟甲基磺酰基）亚胺（CnmimTf2N，n = 2, 4, 6, 8, 10, 12）与β-环糊精（β-CD）在水溶液中的相互作用研究如下：这项工作。通过竞争荧光法和等温滴定量热法 (ITC) 获得化学计量和表观缔合常数。结果表明，C2mimTf2N、C4mimTf2N、C6mimTf2N主要与β-CD形成1:1(guest:host)包合物，而C8mimTf2N、C10mimTf2N、C12mimTf2N则以1:1和1:2的比例形成后者的包合物，主要归因于 Cnmim+–2β-CD 复合物的形成。此外，由于电荷共振结构破坏了 Tf2N- 结构的对称性，Tf2N- 仅与 β-CD 形成 1:1 复合物，傅里叶变换红外光谱证明了这一点。ITC 获得的热力学参数表明，对于 C2mimTf2N、C4mimTf2N 和 C6mimTf2N，包合物的形成是受焓控制的，而对于