四己基氯化铵 | 5922-92-9

• 物质功能分类: 化学试剂 - 有机试剂 - 胺盐（铵盐）
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 四己基氯化铵
• 英文名称: tetrahexylammonium chloride
• 英文别名: [THA+]Cl-；tetra(n-hexyl)-ammonium chloride；tetrahexylazanium;chloride
• CAS: 5922-92-9
• 化学式: C₂₄H₅₂N*Cl
• 分子量: 390.137
• InChiKey: ODTSDWCGLRVBHJ-UHFFFAOYSA-M

物化性质

• 熔点：
  111-113 °C (lit.)
• 沸点：
  544.68°C (rough estimate)
• 密度：
  0.8770 (rough estimate)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料、潮湿空气或水分直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  26
• 可旋转键数：
  20
• 环数：
  0.0
• 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

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  29239000
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338
• 储存条件：
  密封储存，宜存放在阴凉、干燥的仓库中。

SDS

Name:	Tetrahexylammonium chloride Material Safety Data Sheet
Synonym:	1-Hexanaminium, N,N,N-trihexyl-, chloride
CAS:	5922-92-9

Section 1 - Chemical Product MSDS Name:Tetrahexylammonium chloride Material Safety Data Sheet
Synonym:1-Hexanaminium, N,N,N-trihexyl-, chloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5922-92-9	Tetrahexylammonium chloride	98	227-653-6

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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. 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.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate 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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Use with adequate ventilation. Avoid breathing dust.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 5922-92-9: 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: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 111 - 113 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C24H52ClN
Molecular Weight: 390.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5922-92-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tetrahexylammonium chloride - 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# 5922-92-9: No information available.
Canada
CAS# 5922-92-9 is listed on Canada's NDSL List.
CAS# 5922-92-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5922-92-9 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  四己基氯化铵 在 potassium hydrogen bifluoride 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以100%的产率得到tetrahexylazanium;fluoride;hydrofluoride
  参考文献：
  名称：

  Convenient Procedures for the Preparation of Lipophilic Quaternary Onium Fluorides, Hydrogendifluorides and Dihydrogentrifluorides via Ion Exchange in Two-Phase Systems

  摘要：

  一系列疏脂性四元铵氟化物2、氢二氟化物3和氢三氟化物4可以通过与适当的阴离子在有机水相两相系统中进行交换，几乎定量地从相应的四元氢硫酸盐合成；另外，四元盐4也可以在相同条件下从铵氯化物5或溴化物6制备。

  DOI：

  10.1055/s-1988-27763
• 作为产物：
  描述：

  甲醇 、 以 二氯甲烷 为溶剂， 生成 四己基氯化铵
  参考文献：
  名称：

  Interaction between Methanol and the Cl-, Br-, I-, NO3-, ClO4-, BF4-, SO3CF3- and PF6- Anions Studied by FTIR Spectroscopy.

  摘要：

  The interaction between methanol and the Cl-, Br-, I-, NO3-, ClO4-, BF4-, SO3CF3- and PF6- anions in dilute dichloromethane solutions has been investigated. The OH stretching vibration was used to monitor the hydrogen bonds formed between the anions and the methanol molecules, providing a direct measure of the hydrogen-bond strength. Concentrations of free and anion-bonded methanol molecules were measured and the equilibrium constants calculated. The wavenumber shift and the free energy of hydrogen-bond formation was found to be significantly correlated. Far the anions studied it was found that the hydrogen-bond strength increases hr the order: PF6- < BF4- < ClO4- < SO3CF3- < NO3- < Br- < Cl-.

  DOI：

  10.3891/acta.chem.scand.51-0270
• 作为试剂：
  描述：

  Methyl chloro[2-(4-nitrophenyl)hydrazinylidene]acetate 、 三氯乙腈 在 碳酸氢钠 、 四己基氯化铵 作用下， 反应 6.0h， 以24%的产率得到1-(4-nitrophenyl)-3-methoxycarbonyl-5-trichloromethyl-1,2,4-triazole
  参考文献：
  名称：

  Nitrilimine Cycloadditions to the Cyano Group in Aqueous Media

  摘要：

  Dipolar cycloadditions between nitrilimines (2) and the cyano group of activated nitriles (3) were exploited in aqueous sodium hydrogencarbonate as reaction media in the presence of a surfactant. Short reaction times and mild conditions were experienced affording 1-aryl-5-substituted 1,2,4-triazoles.

  DOI：

  10.3987/com-05-10331

文献信息

• [EN] PROCESS FOR THE MANUFACTURING OF A POLYMER WITH URETHANE GROUPS<br/>[FR] PROCÉDÉ DE FABRICATION D'UN POLYMÈRE AYANT DES GROUPES URÉTHANNE
  申请人：BASF SE

  公开号：WO2019034473A1

  公开（公告）日：2019-02-21

  Process for the manufacturing of a polymer with urethane groups, wherein in a first alternative a compound A) with at least two five-membered cyclic monothiocarbonate groups and a compound B) with at least two amino groups, selected from primary or secondary amino groups and optionally a compound C) with at least one functional group that reacts with a group -SH are reacted or wherein in a second alternative a compound A) with at least two five-membered cyclic monothiocarbonate groups or a mixture of a compound A) with a compound A1)with one five-membered cyclic monothiocarbonate group and a compound B) with at least two amino groups, selected from primary or secondary amino groups or a compound B1) with one amino group selected from primary or secondary amino groups or mixtures of compounds B) and B1) and a compound C) with at least two functional groups that react with a group -SH or in case of a carbon-carbon triple bond as functional group that react with a group -SH, a compound C) with at least one carbon-carbon triple bond. are reacted.

  制造含有尿烷基团的聚合物的过程，其中，在第一种替代方案中，至少具有两个五元环状单硫代碳酸酯基团的化合物A)与至少具有两个氨基的化合物B)反应，这些氨基选自伯氨基或仲氨基，以及可选的至少含有一个与-SH基团反应的功能性基团的化合物C)；或者在第二种替代方案中，至少具有两个五元环状单硫代碳酸酯基团的化合物A)或化合物A)与具有一个五元环状单硫代碳酸酯基团的化合物A1)的混合物与至少具有两个氨基的化合物B)反应，这些氨基选自伯氨基或仲氨基，或具有一个氨基的化合物B1)，该氨基选自伯氨基或仲氨基，或化合物B)和B1)的混合物，以及至少具有两个与-SH基团反应的功能性基团的化合物C)，或当功能性基团为碳-碳三键时，至少具有一个碳-碳三键的化合物C)。
• Method for purifying chloromethyl chloroformate
  申请人：——

  公开号：US20040152911A1

  公开（公告）日：2004-08-05

  Describes a method for obtaining substantially pure chloromethyl chloroformate from a chloroformate mixture comprising chloromethyl chloroformate and methyl chloroformate by heating the chloroformate mixture in a reaction zone at temperatures ranging from at least 50° C. to the reflux temperature of the chloroformate mixture in the reaction zone while simultaneously removing volatile gaseous decomposition products from the reaction zone. Dichloromethyl chloroformate may also be present in the chloroformate mixture.

  描述了一种从氯甲基氯甲酸酯和甲基氯甲酸酯组成的氯甲酸酯混合物中获得基本纯的氯甲基氯甲酸酯的方法，该方法包括在反应区域中加热氯甲酸酯混合物，温度范围至少从50°C到反应区域中氯甲酸酯混合物的回流温度，同时从反应区域中去除挥发性气态分解产物。氯甲基氯甲酸酯也可能存在于氯甲酸酯混合物中。
• [EN] PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES<br/>[FR] PRÉPARATION DE 3-ARYL-5-TRIFLUOROMÉTHYL-1,2,4-OXADIAZOLES SUBSTITUÉS
  申请人：BASF SE

  公开号：WO2019020501A1

  公开（公告）日：2019-01-31

  The present invention relates to a process for the preparation of 3-aryl-5-trifluoromethyl-1,2,4- oxadiazoles, which are useful as fungicidal compounds or as intermediates for the synthesis of fungicidal oxaciazole compounds, using trifluoroacetyl halides.

  本发明涉及一种制备3-芳基-5-三氟甲基-1,2,4-恶二唑的方法，这些恶二唑作为杀真菌化合物或作为合成杀真菌恶二唑化合物的中间体是有用的，使用三氟乙酰卤化物。
• [EN] METHOD FOR THE PREPARATION OF THIOCARBONATES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE THIOCARBONATES
  申请人：BASF SE

  公开号：WO2019034469A1

  公开（公告）日：2019-02-21

  Process for the preparation of a compound with at least one five-membered cyclic monothiocar- bonate group wherein a) a compound with at least one epoxy group is used as starting material b) the compound is reacted with phosgene or an alkyl chloroformate thus giving an adduct and c) the adduct is reacted with a compound comprising anionic sulfurthus obtaining the com- pound with at least one five-membered cyclic monothiocarbonate group.

  制备至少含有一个五元环单硫代碳酸酯基团的化合物的方法：a）以至少含有一个环氧基团的化合物作为起始物质；b）将该化合物与光气或烷基氯甲酸酯反应，从而得到一个加合物；c）将该加合物与含有阴离子硫的化合物反应，从而获得至少含有一个五元环单硫代碳酸酯基团的化合物。
• [EN] PROCESS FOR THE MANUFACTURING OF A POLYMER WITH URETHANE GROUPS<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN POLYMÈRE PRÉSENTANT DES GROUPES URÉTHANE
  申请人：BASF SE

  公开号：WO2019034470A1

  公开（公告）日：2019-02-21

  Object of the invention is a process for the manufacturing of a polymer with urethane groups, wherein in a first alternative A)a five-membered cyclic monothiocarbonate B)a compound with at least two amino groups, selected from primary or secondary amino groups, and C)a compound which at least two functional groups that react with a group -SH or, in case of a carbon-carbon triple bond as functional group that react with a group -SH, a compound with at least one carbon-carbon triple bond are reacted or wherein in a second alternative A)a five-membered cyclic monothiocarbonate and D)a compound with at least one primary or secondary amino group and at least one functional group that reacts with a group -SH.

  本发明的对象是制造带有脲烷基团聚合物的方法，其中在第一种替代方案中，A)一个五元环状的单硫代碳酸酯，B)至少有两个氨基团的化合物，选自伯氨基团或仲氨基团，以及C)至少有两个功能团与-SH团反应的化合物，或者在碳碳三键作为功能团与-SH团反应的情况下，至少有一个碳碳三键的化合物；或者在第二种替代方案中，A)一个五元环状的单硫代碳酸酯，D)至少有一个伯氨基团或仲氨基团以及至少有一个与-SH团反应的功能团的化合物。

表征谱图