N-甲基-N-丙基哌啶鎓溴化物 | 88840-42-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: N-甲基-N-丙基哌啶鎓溴化物
• 中文别名: 1-甲基-1-丙基哌啶溴盐；1-甲基-1-丙基溴化哌啶鎓
• 英文名称: 1-propyl-1-methyl-piperidinium bromide
• 英文别名: 1-methyl,1-propylpiperidinium bromide；N-methyl-N-propylpiperidinium bromide；N-metnhyl-N-propylpiperidinium bromide；PP13-Br；1-Methyl-1-propylpiperidinium bromide；1-methyl-1-propylpiperidin-1-ium;bromide
• CAS: 88840-42-0
• 化学式: Br*C₉H₂₀N
• 分子量: 222.168
• InChiKey: CSANMXKHSHGXNC-UHFFFAOYSA-M

物化性质

• 熔点：
  248 °C(dec.)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

1-Methyl-1-propylpiperidinium Bromide
SAFETY DATA SHEET

---

Section 1. IDENTIFICATION
Product name: 1-Methyl-1-propylpiperidinium Bromide
5.3

---

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
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 1-Methyl-1-propylpiperidinium Bromide
Percent: >98.0%(T)
CAS Number: 88840-42-0
Chemical Formula: C9H20BrN

---

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.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. 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.

---

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.
1-Methyl-1-propylpiperidinium Bromide

---

Section 5. FIRE-FIGHTING MEASURES
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:

---

Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust 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.

---

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: Dust 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.

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: Crystal- Powder
Colour: White - Very pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:248°C (dec.)
No data available
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
No data available
Relative density:
Solubility(ies):
Soluble
[Water]
[Other solvents] No data available
1-Methyl-1-propylpiperidinium Bromide

---

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 bromide
products:

---

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

---

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
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
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

---

Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

---

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

---

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-Methyl-1-propylpiperidinium Bromide

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-甲基-N-丙基哌啶鎓溴化物 在 silver fluoride 作用下， 以 水 为溶剂， 反应 0.5h， 以95%的产率得到1-methyl,1-propyl-piperidinium fluoride
  参考文献：
  名称：

  FLUORIDE ION BATTERY ELECTROLYTE COMPOSITIONS

  摘要：

  氟离子电池包括一个基本上无锂的阳极和阴极。阳极或阴极中的至少一个含有氟，并且使用基本上无锂的液体电解质来进行电荷传输。该电解质在低于约200摄氏度的温度下是液态的，可以由溶于选定类别的溶剂中的有机溶性氟盐形成。

  公开号：

  US20160181665A1
• 作为产物：
  描述：

  1-isopropyl-1-methyl-piperidinium; iodide 在 sodium thiophenolate 作用下， 以 氯仿 、 乙腈 、 丁酮 为溶剂， 生成 N-甲基-N-丙基哌啶鎓溴化物
  参考文献：
  名称：

  Manoharan, T. Samuel; Madyastha, K. Madhava; Singh, B. B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 1, p. 5 - 11

  摘要：

  DOI：

文献信息

• 一种哌啶型离子液体及其制备方法与应用
  申请人：浙江工业大学

  公开号：CN109627227B

  公开（公告）日：2020-07-17

  本发明公开一种哌啶型离子液体的制备方法，包括：在乙酸乙酯中加入溴丙烷，再加入N‑甲基哌啶反应8‑48h，固相用丙酮淋洗，旋蒸得中间产物；中间产物加入水中溶解，再加入三氟甲基磺酰亚胺锂，萃取分液后有机相用水清洗，经旋蒸、干燥得到产品。同时公开一种采用上述方法制备得到的哌啶型离子液体。同时公开一种上述哌啶型离子液体作为锂离子电池电解液组分的应用。本发明的制备方法在常温下进行，产率高、经济、操作简单。本发明的哌啶型离子液体纯度高、含水率低、粘度低、电导率高、电化学窗口宽。将上述方法制备得到的哌啶型离子液体作为电解液组分应用于锂离子电池电解液中，表现出更好的不燃性和化学稳定性、更低的电化学阻抗。
• Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries
  作者：Sankaran Murugesan、Oliver A. Quintero、Brendan P. Chou、Penghao Xiao、Kyusung Park、Justin W. Hall、Richard A. Jones、Graeme Henkelman、John B. Goodenough、Keith J. Stevenson

  DOI：10.1039/c3ta15010k

  日期：——

  A stable hydrophobic ionic crystalline solid comprised of the N-propyl-N-methylpiperidinium cation and hexafluorophosphate anion PP₁₃PF₆ exhibits a remarkably wide electrochemical window of 7.2 V.

  由N-丙基-N-甲基哌啶阳离子和六氟磷酸根阴离子组成的稳定疏水性离子晶体固体PP13PF6具有非常宽的7.2 V的电化学窗口。

• Crystal structures, phase transitions, and switchable dielectric behaviors: comparison of a series of N-heterocyclic ammonium perchlorates
  作者：Ping-Ping Shi、Qiong Ye、Qiang Li、Hui-Ting Wang、Da-Wei Fu、Yi Zhang、Ren-Gen Xiong

  DOI：10.1039/c5dt00263j

  日期：——

  1-Propyl-1-methylpiperidinium, 1-cyanomethyl-1-methylpiperidinium and 1-cyanomethyl-1-methylmorpholinium perchlorates display switchable dielectric responses accompanied by phase transitions at around 199, 387 and 416 K, respectively.

  1-丙基-1-甲基哌啶鎓、1-氰甲基-1-甲基哌啶鎓和1-氰甲基-1-甲基吗啉鎓高氯酸盐分别在约199、387和416 K显示出可切换的介电响应，并伴有相变。
• 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。
• IONIC LIQUID ELECTROLYTE FOR LITHIUM-ION BATTERIES
  申请人：UCHICAGO ARGONNE, LLC

  公开号：US20210194059A1

  公开（公告）日：2021-06-24

  The ionic liquids disclosed herein are salts comprising a nitrogen or phosphorus such as a quaternary ammonium ion, a quaternary phosphonium ion, or an N-alkylated nitrogen heterocycle, and which include at least one functional substituent, e.g., a fluoro, cyano, carbonate ester, an alkenyl group, or an alkynyl group bonded to a carbon atom the cation. In a preferred embodiment, the cation is represented by the structure of Formula (I) as described herein.

  本公开的离子液体是盐，包括一种氮或磷，如季铵离子、季磷离子或N-烷基化氮杂环离子，并且包括至少一个功能取代基，例如氟基、氰基、碳酸酯基、烯基或炔基，与阳离子的碳原子键合。在一个首选实施例中，阳离子由此处描述的化学式（I）表示。