N-己基吡啶溴盐 | 74440-81-6

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: N-己基吡啶溴盐
• 中文别名: 1-己基溴化吡啶翁
• 英文名称: 1-hexylpyridinium bromide
• 英文别名: N-hexylpyridinium bromide；1-hexylpyridin-1-ium bromide；1-hexylpyridin-1-ium;bromide
• CAS: 74440-81-6
• 化学式: Br*C₁₁H₁₈N
• 分子量: 244.175
• InChiKey: SZRSEFNUSHACPD-UHFFFAOYSA-M

物化性质

• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  3.9
• 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：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储于阴凉干燥处。

SDS

Name:	1-Hexylpyridinium Bromide Material Safety Data Sheet
Synonym:	None Known
CAS:	74440-81-6

Section 1 - Chemical Product MSDS Name:1-Hexylpyridinium Bromide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
74440-81-6	1-Hexylpyridinium Bromide	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. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. 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# 74440-81-6: 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:
Molecular Formula: C11H18BrN
Molecular Weight: 244.18

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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:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 74440-81-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Hexylpyridinium Bromide - 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# 74440-81-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 74440-81-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 74440-81-6 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

制备方法与用途

制备方法

用作化学试剂

用途简介

暂无具体用途介绍。

用途

用作化学试剂

反应信息

• 作为反应物：
  描述：

  N-己基吡啶溴盐 在 氢氟酸 作用下， 以 水 为溶剂， 反应 3.0h， 以7.41 g的产率得到N-hexylpyridinium fluoride
  参考文献：
  名称：

  一种氟化盐离子液体的合成方法

  摘要：

  本发明涉及有机化学合成领域，具体涉及一种氟化盐离子液体的合成方法。本发明是向取卤化咪唑等原料中加入过量的氢氟酸、氟化铵或氟化氢铵，密闭搅拌并升温至50‑70oC，充分反应至少3h，得到未脱水的氟化盐离子液体，检测纯化并脱水后，得到粘稠液体，对粘稠液体进行检测，检测合格后得到氟化盐离子液体。本发明方法工艺简易、无有机溶剂、无废弃物，终产物纯度高。

  公开号：

  CN103992275B
• 作为产物：
  描述：

  溴己烷 在 吡啶 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 N-己基吡啶溴盐
  参考文献：
  名称：

  Antimicrobial polymeric surfaces

  摘要：

  本发明公开了一种包含在材料上固定的聚合物化合物的杀菌组合物。还公开了包括这种杀菌组合物的医疗器械。公开了用抗菌聚阳离子，例如聚（乙烯基-N-吡啶溴化物）共价衍生化常见材料表面的方法；该方法的第一步涉及在表面上涂覆一层纳米硅。以这种方式衍生化的各种商业合成聚合物具有杀菌作用，即它们能够在接触时杀死沉积的革兰氏阳性和革兰氏阴性细菌，无论是通过空气还是水沉积。

  公开号：

  US20030091641A1
• 作为试剂：
  描述：

  氢化镓 、 selenium 、 germanium dioxide 、 一水合肼 在 N-己基吡啶溴盐 作用下， 以 乙醇 、 水 为溶剂， 反应 168.0h， 以49.8%的产率得到
  参考文献：
  名称：

  基于13和14族金属的四种二维三元硒化物：合成，晶体结构和电化学性质

  摘要：

  一系列二维三元硒化物，[NH 4 ] 2 [Ga 2 Sn 2 Se 8 ]（1），[NH 4 ] 2 [In 2 Ge 2 Se 8 ]（2），[NH 4 ] 2 [In 2 Sn 2 Se 8 ]（3），[NH 4 ] 2 [Ga 2 Ge 2 Se 8]（4），已通过溶剂热合成，并通过单晶X射线衍射，能量色散X射线（EDX）光谱，固态UV-Vis漫反射光谱和热重分析进行了表征。固态光学吸收光谱表明，这些化合物是带隙为1.71 eV，1、1.95 eV，2、1.85 eV，3和1.83 eV的半导体。此外，化合物2被用作阳极材料。锂离子电池应用，在200 mA g -1的电流密度下，在200个循环中显示出479 mA hg -1的高比容量，在1000 mA g的电流密度下具有425.2 mA h g -1的出色倍率能力-1 。我们的结果表明，结晶硫属元素化物可以作为高性能LIB应用的替代阳极材料。

  DOI：

  10.1016/j.jssc.2018.04.018

文献信息

• Does alkyl chain length really matter? Structure–property relationships in thermochemistry of ionic liquids
  作者：Sergey P. Verevkin、Dzmitry H. Zaitsau、Vladimir N. Emel’yanenko、Ricardas V. Ralys、Andrei V. Yermalayeu、Christoph Schick

  DOI：10.1016/j.tca.2013.04.003

  日期：2013.6

  Abstract DSC was used for determination of reaction enthalpies of synthesis of ionic liquids [Cnmim][Cl]. A combination of DSC with quantum chemical calculations presents an indirect way to study thermodynamics of ionic liquids. The indirect procedure for vaporization enthalpy was validated with the direct experimental measurements by using thermogravimetry. First-principles calculations of the enthalpy

  摘要 DSC用于测定离子液体[Cnmim][Cl]的合成反应焓。DSC 与量子化学计算的结合提供了一种研究离子液体热力学的间接方法。使用热重法通过直接实验测量验证了汽化焓的间接程序。已经使用 CBS-QB3 和 G3 (MP2) 理论对离子物质进行了气相生成焓的第一性原理计算。从文献中收集了具有阴离子 [Cl] 和 [Br] 的烷基取代咪唑鎓、吡啶鎓和吡咯烷鎓基离子液体的同源系列的实验 DSC 数据。我们已经证明了形成焓、汽化焓、和晶格势能线性依赖于烷基链长度。离子液体的热化学性质通常遵循基团可加性规则，并且形成和蒸发焓的可加性参数值似乎与分子化合物的值非常接近。
• Alkylimidazolium/alkylpyridinium octamolybdates catalyzed oxidation of sulfides to sulfoxides/sulfones with hydrogen peroxide
  作者：Jin-Xin Ye、Jing-Yun Wang、Xin Wang、Ming-Dong Zhou

  DOI：10.1016/j.catcom.2016.03.020

  日期：2016.6

  [Hmim]4Mo8O26 (Hmim = 1-hexyl-3-methylimidazolium), [Dhmim]4Mo8O26 (Dhmim = 1.2-dimethyl-3-hexylimidazolium) and [Hpy]4Mo8O26 (Hpy = 1-hexylpyridinium) have been used as catalysts for the oxidation of sulfides using 30% hydrogen peroxide as oxidant. The examined β-Mo8O26 salts prove to be highly active and are self-separating. A high selectivity towards either sulfoxides or sulfones can be nicely controlled by

  β-沫8 ö 26基于通式的烷基咪唑和吡啶鎓盐[BMIM] 4沫8 ø 26（BMIM = 1-丁基-3-甲基咪唑鎓），[HMIM] 4沫8 ø 26（HMIM = 1己基3-甲基咪唑），[Dhmim] 4沫8 ø 26（Dhmim = 1.2二甲基-3-己基咪唑）和[HPY] 4沫8 ø 26（HPY = 1己基吡啶）已被用作催化剂的硫化物的氧化使用30％的过氧化氢作为氧化剂。所检查的β-沫8 ø 26盐被证明具有很高的活性并且可以自我分离。通过改变反应条件，可以很好地控制对亚砜或砜的高选择性。在这两种情况下，催化剂都可以循环使用几次，而活性没有明显损失，代表了催化剂的良好稳定性。
• Thermochemistry of the pyridinium- and pyrrolidinium-based ionic liquids
  作者：Sergey P. Verevkin、Ricardas V. Ralys、Vladimir N. Emel’yanenko、Dzmitry H. Zaitsau、Christoph Schick

  DOI：10.1007/s10973-012-2725-4

  日期：2013.4

  We applied DSC for the determination of enthalpies of synthesis reactions of pyridinium- and pyrrolidinium-based ionic liquids (ILs) from pyridine (or N-methyl-pyrrolidine) and n-alkyl bromides (with n = 4, 5, 6, 7, and 8). The combination of reaction enthalpy measurements by DSC with modern high-level first-principles calculations opens valuable indirect thermochemical options to obtain values of enthalpies of the formation and vaporization enthalpies of ILs.

  我们应用差示扫描量热法（DSC）来确定由吡啶（或N-甲基吡咯烷）和n-烷基溴化物（n=4, 5, 6, 7和8）合成的吡啶离子液体（ILs）和吡咯烷离子液体的合成反应焓。通过DSC测量反应焓与现代高水平第一原理计算的结合，为获得离子液体的形成焓和蒸发焓值提供了有价值的间接热化学选项。
• ZIF-8-porous ionic liquids for the extraction of 2,2,3,3-tetrafluoro-1-propanol and water mixture
  作者：Zenghui Wang、Pingping Zhao、Jimin Wu、Jun Gao、Lianzheng Zhang、Dongmei Xu

  DOI：10.1039/d1nj01053k

  日期：——

  Porous ionic liquids were employed for the extraction of TFP and water via a unique liquid porous structure and intermolecular interaction.

  多孔离子液体通过独特的液体多孔结构和分子间相互作用用于提取TFP和水。
• Ultrafast Dynamics in Aromatic Cation Based Ionic Liquids: A Femtosecond Raman-Induced Kerr Effect Spectroscopic Study
  作者：Hideaki Shirota、Shohei Kakinuma、Kotaro Takahashi、Akito Tago、Hocheon Jeong、Tomotsumi Fujisawa

  DOI：10.1246/bcsj.20160085

  日期：2016.9.15

  We studied the ultrafast dynamics of 40 aromatic cation based ionic liquids (ILs) by means of femtosecond Raman-induced Kerr effect spectroscopy. The low-frequency Kerr spectra (ca. 0.3–700 cm−1) of the ILs were obtained from the Kerr transients by Fourier-transform deconvolution analysis. The low-frequency Kerr spectra in the frequency range less than 200 cm−1 coming mainly from the intermolecular

  我们通过飞秒拉曼诱导克尔效应光谱研究了 40 种芳香族阳离子基离子液体 (IL) 的超快动力学。ILs 的低频克尔谱（约 0.3-700 cm-1）是通过傅立叶变换解卷积分析从克尔瞬变中获得的。在低于 200 cm-1 的频率范围内的低频克尔光谱主要来自 IL 的分子间振动，讨论了 (i) 阴离子依赖性，(ii) 咪唑鎓阳离子与吡啶鎓阳离子，(iii) 烷基基团依赖性，以及 (iv) 芳香族阳离子中甲基化的影响。本研究还评估了当前样品 IL 在 293 K 下的几种液体特性，例如密度、粘度、电导率和表面张力。