1-甲基-1-丙基吡咯烷双(三氟甲磺酰)亚胺盐 | 223437-05-6

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-甲基-1-丙基吡咯烷双(三氟甲磺酰)亚胺盐
• 中文别名: N-甲基,丙基吡咯烷双三氟甲磺酰亚胺盐；1-甲基-1-丙基吡咯烷双(三氟甲磺酰)亚胺盐
• 英文名称: N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)amide
• 英文别名: N-propyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide；N-methyl-N-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide；1-methyl-1-propylpyrrolidinium bis((trifluoromethyl)sulfonyl)imide；N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide；1-propyl-1-methylpyrrolidinium bis((trifluoromethyl)sulfonyl)imide；1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide；bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
• CAS: 223437-05-6
• 化学式: C₂F₆NO₄S₂*C₈H₁₈N
• 分子量: 408.386
• InChiKey: DKNRELLLVOYIIB-UHFFFAOYSA-N

物化性质

• 熔点：
  12℃
• 密度：
  1.44 g/cm3 (20 ºC)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  86
• 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+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319
• 储存条件：
  存放于惰性气体中，以避免与空气接触。

SDS

1-Methyl-1-propylpyrrolidinium Revision number: 5
Bis(trifluoromethanesulfonyl)imide
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
Components:
Percent: >98.0%(T)
223437-05-6
CAS Number:
Chemical Formula: C10H18F6N2O4S2

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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.
1-Methyl-1-propylpyrrolidinium
Bis(trifluoromethanesulfonyl)imide

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
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.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
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.
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 under inert gas.
Store away from incompatible materials such as oxidizing agents.
Air-sensitive
Comply with laws.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
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.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.
1-Methyl-1-propylpyrrolidinium
Bis(trifluoromethanesulfonyl)imide

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colorless - Yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:12°C
No data available
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
Relative density: 1.44
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.
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
Log Pow: No data available
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
1-Methyl-1-propylpyrrolidinium
Bis(trifluoromethanesulfonyl)imide

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Section 14. TRANSPORT INFORMATION
UN-No: Not listed

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

C3MPr NTf₂ 是一种生物化学试剂，可以作为生物材料或有机化合物应用于生命科学研究中。

反应信息

• 作为反应物：
  描述：

  1-methyl-1-propylpyrrolidinium iodide 、 1-甲基-1-丙基吡咯烷双(三氟甲磺酰)亚胺盐 在 4-叔丁基吡啶 、 碘 、 lithium iodide 作用下， 生成 1-propyl-1-methylpyrrolidinium triiodide
  参考文献：
  名称：

  结合三卤化物阴离子的新型离子盐的结构表征

  摘要：

  几种含有三卤离子的低熔点盐的晶体结构，即三溴化1-乙基-3-甲基咪唑鎓（[C 2 mim] [Br 3 ]），三溴化1-乙基-1-甲基吡咯烷鎓（[C 2 mpyr] [Br 3 ]）和1-丙基-1-甲基吡咯烷鎓三碘化物（[C 3 mpyr] [I 3 ]），是首次报道。热分析表明，三溴化物盐的熔点低于其一卤化物类似物。晶体结构的分析允许检查阴离子对盐的物理性质的影响。

  DOI：

  10.1071/ch08456
• 作为产物：
  描述：

  1-甲基吡咯烷 以 水 、 乙酸乙酯 为溶剂， 生成 1-甲基-1-丙基吡咯烷双(三氟甲磺酰)亚胺盐
  参考文献：
  名称：

  基于吡咯烷鎓的离子液体的热稳定性，生物降解性和燃烧化学的综合见解

  摘要：

  在电化学储能设备中，将离子液体（IL）用作高级电解质组分是最有吸引力和新兴的选择之一。但是，尽管IL被誉为更安全和环保的电解质，但要克服高挥发性/可燃碳酸盐基电解质带来的局限性，仍需要充分解决在滥用条件下对其整体安全水平进行全面和准确评估的问题。 。为了在此提供有关热稳定性，化学稳定性以及实际火灾隐患的信息，本文详细研究了各种基于吡咯烷鎓类离子液体的短期和长期热稳定性，生物降解性和燃烧行为。具有不同的烷基链长度，抗衡阴离子和阳离子，以及掺杂锂盐的效果，

  DOI：

  10.1002/cssc.201701006

文献信息

• A Cation-Tethered Flowable Polymeric Interface for Enabling Stable Deposition of Metallic Lithium
  作者：Zhuojun Huang、Snehashis Choudhury、Huaxin Gong、Yi Cui、Zhenan Bao

  DOI：10.1021/jacs.0c09649

  日期：2020.12.23

  complexity of electrochemistry at the electrode-electrolyte interfaces that impacts the Coulombic efficiency, operational rate capability, and lifetime. Specifically, in energy-dense lithium metal batteries, the charging/discharging process results in structural heterogeneities of the metal anode, leading to battery failure by short-circuit and capacity fade. In this work, we take advantage of organic cations

  许多储能设备共有的一个基本挑战是电极-电解质界面处电化学的复杂性，这会影响库仑效率、工作速率能力和寿命。具体而言，在能量密集型锂金属电池中，充放电过程会导致金属负极的结构异质性，导致电池因短路和容量衰减而失效。在这项工作中，我们利用还原电位低于锂的有机阳离子来构建电响应聚合物界面，该界面不仅适应电沉积和剥离过程中的形态扰动，而且还调节锂离子迁移途径以消除表面粗糙。
• Ultrafast Dynamics in Nonaromatic Cation Based Ionic Liquids: A Femtosecond Raman-Induced Kerr Effect Spectroscopic Study
  作者：Hideaki Shirota、Masatoshi Ando、Shohei Kakinuma、Kotaro Takahashi

  DOI：10.1246/bcsj.20200198

  日期：2020.12.15

  basis of the ion species. The spectral intensity in nonaromatic cation based ILs was much lower than that in aromatic cation based ILs owing to the absence of the aromatic ring, i.e., the libration of the aromatic species had a strong spectral intensity in the low-frequency region. However, nonaromatic cation based ILs with a flat anion, such as dicyanamide and tricyanomethide, showed stronger spectral

  在此，报道了通过飞秒拉曼诱导的克尔效应光谱法测量的在293 K下的四十个非芳香族阳离子型离子液体（ILs）的分子间振动数据。通过傅立叶变换反卷积分析获得了0.3–700 cm -1频率范围内的低频频谱。低于〜200 cm -1的低频频谱的线形根据离子种类进行了讨论。由于不存在芳环，因此基于非芳族阳离子的ILs的光谱强度比基于芳族阳离子的ILs的光谱强度低得多，即芳族物质的释放在低频区域具有很强的光谱强度。但是，由于阴离子的释放，具有平面阴离子的非芳香族阳离子基离子分子（如双氰胺和三氰甲基甲烷）显示出更强的光谱强度。在离子物种结构的背景下，还讨论了其他独特的光谱特征。还估计了液体性质，例如密度，粘度，电导率和表面张力。在比较低频光谱和非芳香族阳离子基离子液体的整体液体性质时，
• 一种离子液体的制备方法
  申请人：微宏动力系统(湖州)有限公司

  公开号：CN104592164B

  公开（公告）日：2017-08-29

  一种离子液体的制备方法，包括以下步骤：a、将叔胺化合物、叔亚胺化合物或叔磷化合物与碳酸酯反应，得到含有季铵阳离子或季鏻阳离子的中间体；b、将a步骤中生成的中间体与亚胺化合物反应；或者将a步骤中生成的中间体进行水解，然后再与亚胺化合物或者亚胺盐反应。根据该方法制得的亚胺型季铵或季鏻离子液体特别适用于对卤素离子敏感的电化学系统，例如锂离子二次电池、电化学超级电容器等。根据该方法，原料无毒无害、反应条件温和，对生产设备要求不高，原则上可以使用所有常规的适用液相反应的反应容器，加料、混料、蒸馏、过滤等操作也简单。
• Ionic liquids based on (fluorosulfonyl)(pentafluoroethanesulfonyl)imide with various oniums
  作者：Kai Liu、Yi-Xuan Zhou、Hong-Bo Han、Si-Si Zhou、Wen-Fang Feng、Jin Nie、Hong Li、Xue-Jie Huang、Michel Armand、Zhi-Bin Zhou

  DOI：10.1016/j.electacta.2010.06.085

  日期：2010.9

  New hydrophobic ionic liquids based on (fluorosulfonyl)(pentafluoroethanesulfonyl)imide ([(FSO2)(C2F5SO2)N]−, FPFSI−) anion with various oniums, including imidazolium, tetraalkyl ammonium, pyrrolidinium, and piperidinium, were prepared and characterized. Their physicochemical and electrochemical properties, including phase transitions, thermal stability, viscosity, density, specific conductivity and

  基于（氟磺酰基）（五氟乙烷磺酰）亚胺新的疏水性离子液体（[（FSO 2）（C 2 ˚F 5 SO 2）N] -，FPFSI - ）阴离子与各种鎓，包括咪唑鎓，四烷基铵，吡咯烷，和哌啶鎓，被准备和表征。对它们的物理化学和电化学性质（包括相变，热稳定性，粘度，密度，比电导率和电化学窗口）进行了广泛表征，并使用含有异构但对称的TFSI -（[（CF 3 SO 2）2 N]−）阴离子。这些新的FPFSI -系离子液体显示出低的熔点，低的粘度，良好的热稳定性和宽的电化学窗口允许Li沉积/溶解。所有这些所需的特性表明它们是锂（或锂离子）电池的潜在电解质材料。
• 常温溶融塩の精製方法
  申请人：東ソー株式会社

  公开号：JP2005298375A

  公开（公告）日：2005-10-27

  PROBLEM TO BE SOLVED: To provide a purification method for simply and efficiently removing, from salts molten at normal temperature, metals such as an alkali metal and a halogen which are contained in the molten salt as impurities.

  SOLUTION: The high-purity salt molten at room temperature is obtained by washing, with an acid water-solution or an alkali water-solution, metals such as an alkali metal and a halogen which are contained in salts molten at room temperature as impurities.

  COPYRIGHT: (C)2006,JPO&NCIPI

  要解决的问题：提供一种简单高效地从常温下熔化的盐中，移除碱金属和卤素等金属杂质的净化方法。 解决方案：通过用酸性水溶液或碱性水溶液清洗常温下熔化的盐中含有的金属杂质，如碱金属和卤素，从而获得高纯度的常温下熔化的盐。 版权：(C)2006，JPO&NCIPI

表征谱图