丙基溴化吡啶 | 873-71-2

• 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: 丙基溴化吡啶
• 中文别名: 1-丙基溴化吡啶
• 英文名称: 1-propylpyridinium bromide
• 英文别名: N-propylpyridinium bromide；1-propyl-pyridinium; bromide；1-Propyl-pyridinium; Bromid；1-Propylpyridin-1-ium bromide；1-propylpyridin-1-ium;bromide
• CAS: 873-71-2
• 化学式: Br*C₈H₁₂N
• 分子量: 202.094
• InChiKey: SAORNRFCWXEYSW-UHFFFAOYSA-M

物化性质

• 熔点：
  76-79 °C(lit.)
• 密度：
  1.3964 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.61
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：
  Xn
• 安全说明：
  S26,S36/37
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933399090

SDS

Name:	1-Propylpyridinium bromide 98% Material Safety Data Sheet
Synonym:	NOne Known
CAS:	873-71-2

Section 1 - Chemical Product MSDS Name:1-Propylpyridinium bromide 98% Material Safety Data Sheet
Synonym:NOne Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
873-71-2	1-Propylpyridinium bromide	98%	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.
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 irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
No information found.

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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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. 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.

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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# 873-71-2: 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: Chunks
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77 - 81 deg C
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: C8H12BrN
Molecular Weight: 201.9947

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 873-71-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Propylpyridinium 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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 873-71-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 873-71-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 873-71-2 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：

  丙基溴化吡啶 在 氢化铝钠 作用下， 以 四氢呋喃 为溶剂， 生成 trans-5-n-Propylamino-1,3-pentadien
  参考文献：
  名称：

  Ferles,M.; Kocian,O., Collection of Czechoslovak Chemical Communications, 1974, vol. 39, p. 1210 - 1215

  摘要：

  DOI：
• 作为产物：
  描述：

  吡啶 、 溴丙烷 以 乙酸乙酯 为溶剂， 反应 72.0h， 生成 丙基溴化吡啶
  参考文献：
  名称：

  离子液体1-丙基溴化吡啶[C3py]Br的制备及其水溶液的摩尔表面准吉布斯能模型

  摘要：

  在T = (288.15–318.15) K 时测量0.0099 至 1.0337 mol·kg –1浓度的 1-丙基溴化吡啶 [C 3 py]Br 水溶液的密度和表面张力值，间隔为 5 K，摩尔浓度为建立了[C 3 py]Br水溶液的表面准吉布斯能量模型，并探讨了摩尔表面准吉布斯能量与摩尔浓度和温度之间的关系。此外，Eötvös 方程在摩尔表面准吉布斯能量模型方面得到了改进。

  DOI：

  10.1021/acs.jced.1c00569

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。
• Synthesis, Characterization, and Physicochemical Properties of Hydrophobic Pyridinium-based Ionic Liquids with <i>N</i> -Propyl and <i>N</i> -Isopropyl
  作者：Mzukisi Matandabuzo、Peter A. Ajibade

  DOI：10.1002/zaac.201800006

  日期：2018.6.3

  Synthesis and physicochemical properties of four pyridinium‐based ionic liquids (ILs), N‐propylpyridinium bromide [N‐propylPyr]+[Br]–, N‐isopropylpyridinium bromide [N‐isopropylPyr]+[Br]–, N‐propylpyridinium hexafluorophosphate [N‐propylPyr]+[PF6]–, and N‐isopropylpyridinium hexafluorophosphate [N‐isopropylPyr]+[PF6]– are reported. The molecular structures of these compounds were characterized by FT‐IR

  合成和四个基于吡啶鎓的离子液体的物理化学性质（ILS），Ñ -propylpyridinium溴化物[ Ñ -propylPyr] + [BR] - ，Ñ -isopropylpyridinium溴化物[ Ñ -isopropylPyr] + [BR] - ，Ñ -propylpyridinium六氟磷酸盐[ N-丙基吡啶] + [PF 6 ] –和N-异丙基吡啶六氟磷酸盐[ N-异丙基吡啶] + [PF 6 ] –被报道。这些化合物的分子结构通过FT-IR，1 H，19 F和31 P NMR光谱表征。还研究了这些离子液体的热性质，电导率和溶解度。讨论了吡啶鎓阳离子N位置上的丙基和异丙基烷基侧链对离子液体的热稳定性，电导率和溶解度的影响。所得结果证实，基于吡啶鎓阳离子的离子液体表现出较高的分解温度，低的熔点，与水不溶混，并且其电导率主要受离子迁移率的影响。
• Pyridinium ferrocene sulfonate salts: Highly soluble materials for electrochemical applications
  作者：Briana R. Schrage、Ariana Frkonja-Kuczin、Baosen Zhang、Mahala S. Hobbs、Wei-Yuan Chen、Aliaksei Boika、Christopher J. Ziegler

  DOI：10.1016/j.jorganchem.2023.122695

  日期：2023.6

  Aqueous redox flow batteries (ARFBs) are devices that use water-soluble electroactive compounds for scalable energy storage. Energy storage capacity is maximized when anolytes and catholytes are highly soluble. In this paper, we present a series of pyridinium salts of the ferrocene bis(sulfonate) dianion as highly soluble candidates for ARFB applications. Four compounds with different alkyl chains

  水系氧化还原液流电池 (ARFB) 是使用水溶性电活性化合物进行可扩展储能的装置。当阳极电解液和阴极电解液高度可溶时，储能容量最大化。在本文中，我们提出了一系列二茂铁双（磺酸）二价阴离子的吡啶盐作为 ARFB 应用的高可溶性候选物。合成了四种在吡啶阳离子上具有不同烷基链的化合物，并评估了它们的电化学性质以及它们在 ARFB 装置中的功效。尽管这些化合物高度可溶，导致潜在的大能量密度，但它们存在与相关咪唑二茂铁双（磺酸盐）盐系统相同的稳定性问题。
• Process for preparing 2,6-naphthalenedicarboxylic acid
  申请人：Mitsubishi Chemical Corporation

  公开号：EP0496264A2

  公开（公告）日：1992-07-29

  A process for preparing 2,6-naphthalenedicarboxylic acid comprising oxidation reaction of 2,6-diisopropylnaphthalene or an oxidation product thereof with molecular oxygen in a solvent containing an aliphatic carboxylic acid in the presence of a catalyst comprising cobalt and manganese as heavy metals and a bromine compound is disclosed, in which said oxidation reaction is carried out in the presence of at least one nitrogen-containing compound selected from the group consisting of a pyridine compound, ammonia, a carboxylic acid ammonium salt, urea, a urea derivative, an amine, and a carboxylic acid amide. 2,6-Naphthalenedicarboxylic acid can be obtained at higher purity and in increased yield.

  本发明公开了一种制备 2,6-萘二甲酸的工艺，该工艺包括 2,6-二异丙基萘或其氧化产物在含有脂肪族羧酸的溶剂中与分子氧在由重金属钴和锰以及溴化合物组成的催化剂存在下进行的氧化反应、其中所述氧化反应是在至少一种选自吡啶化合物、氨、羧酸铵盐、脲、脲衍生物、胺和羧酸酰胺的含氮化合物存在下进行的。2,6-萘二甲酸的纯度更高，产率更高。
• Amphoteric polymer resins that increase the rate of sizing development
  申请人：——

  公开号：US20030127204A1

  公开（公告）日：2003-07-10

  Amphoteric promoter resin that is a polymerization reaction product of a quaternary diallylammonium monomer, a diallylammonium monomer, and a unsaturated organic acid as well as compositions containing the amphoteric promoter resin and a sizing agent. The method of sizing paper with such amphoteric promoter resin compound and a sizing agent provides sized paper with significantly improved sizing property characteristics, and the sized paper exhibits superior retention of brightness due to added optical brighteners.

  两性促进剂树脂是季烯丙基二烯丙基铵单体、二烯丙基铵单体和不饱和有机酸的聚合反应产物，以及含有两性促进剂树脂和施胶剂的组合物。使用这种两性促进剂树脂化合物和施胶剂对纸张进行施胶的方法可使施胶纸张的施胶特性得到明显改善，而且由于添加了光学增白剂，施胶纸张的白度保持率更高。