苄基三丁基氯化铵 | 23616-79-7

• 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 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苄基三丁基氯化铵
• 中文别名: 氯化三丁基苄基铵；苄基三-N-丁基氯化铵；苄基三正丁基氯化铵；氯化苄基三丁基銨
• 英文名称: benzyltri(n-butyl)ammonium chloride
• 英文别名: (benzyl)-tri-(butyl)-ammonium chloride；tributylbenzylammonium chloride；tri-n-butylbenzylammonium chloride；BTBAC；N-benzyl-N,N-dibutylbutan-1-aminium chloride；Benzyltributylammonium chloride；benzyl(tributyl)azanium;chloride
• CAS: 23616-79-7
• 化学式: C₁₉H₃₄N*Cl
• 分子量: 311.939
• InChiKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M

物化性质

• 熔点：
  155-163 °C (lit.)
• 沸点：
  466.93°C (rough estimate)
• 密度：
  0.9523 (rough estimate)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  Xn
• 安全说明：
  S26,S36,S36/37/39,S37/39,S45
• 危险类别码：
  R22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  29239000
• 危险品运输编号：
  UN 3263 8/PG 2
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H314
• 危险性防范说明：
  P280,P305 + P351 + P338,P310
• 储存条件：
  保持贮藏器密封，并将其放入一个紧密的容器中。储存在阴凉、干燥的地方。

SDS

Name:	Benzyltributylammonium chloride 98+% Material Safety Data Sheet
Synonym:	BTBAC
CAS:	23616-79-7

Section 1 - Chemical Product MSDS Name:Benzyltributylammonium chloride 98+% Material Safety Data Sheet
Synonym:BTBAC

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
23616-79-7	Benzyltributylammonium chloride	>98	245-787-3

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.
Notes to Physician:
Antidote: None reported.

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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.
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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

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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# 23616-79-7: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 155-163 deg C (dec)
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: 155-163 deg C
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula: C19H34ClN
Molecular Weight: 311.94

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, moisture.
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# 23616-79-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyltributylammonium 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
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# 23616-79-7: No information available.
Canada
CAS# 23616-79-7 is listed on Canada's NDSL List.
CAS# 23616-79-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23616-79-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用

苄基三丁基氯化铵是一种铵类有机化合物，可用作生化试剂。

反应信息

• 作为反应物：
  描述：

  苄基三丁基氯化铵 在 amberlite 717 anion-exchange resin 作用下， 以 乙醇 为溶剂， 生成 tributylbenzylammonium hydroxide
  参考文献：
  名称：

  Boosting the extraction of rare earth elements from chloride medium by novel carboxylic acid based ionic liquids

  摘要：

  DOI：

  10.1016/j.molliq.2021.115549
• 作为产物：
  描述：

  苄基三丁基溴化铵 在 1-丁基-3-甲基咪唑二(三氟甲基磺酰)酰亚胺 作用下， 以 乙腈 为溶剂， 生成 苄基三丁基氯化铵
  参考文献：
  名称：

  氮与磷亲核试剂-改变亲核杂原子如何在双分子亲核取代过程中影响离子液体溶剂的作用†

  摘要：

  已研究了一系列氮和磷亲核试剂，以确定先前建立的离子液体溶剂是否对双分子亲核取代（S N2）反应随亲核中心的性质而变化。与吡啶相比，随着反应混合物中离子液体比例的增加，第15组三苯基亲核试剂与苄基溴的反应显示出速率常数的变化趋势。该结果表明，其他交互非常重要。当亲电试剂与三苯膦反应发生变化时，观察到的反应结果差异支持了这种假设。在三丁胺与苄基溴的反应中观察到新的离子液体溶剂效应，其平衡位置随反应混合物中离子液体的比例而变化。总体，提出的工作证明了考虑沿反应坐标的离子液体溶剂与物质之间所有可能的相互作用的重要性，并扩展了我们目前对离子液体溶剂作用的预测框架。这种理解很重要，因为它允许进一步发展将离子液体应用于制备化学的预测框架。

  DOI：

  10.1039/c6nj00721j
• 作为试剂：
  描述：

  2-(7-(benzyloxy)heptyl)pyridine 在 3,5-双(三氟甲基)乙酰苯胺 、 苄基三丁基氯化铵 、 C₅₃H₃₈B₂F₂₀ 、 频那醇硼烷 、 sodium hydroxide 作用下， 以 氯仿 、 水 为溶剂， 反应 24.0h， 生成 (R)-2-(7-(benzyloxy)heptyl)-1-tosylpiperidine
  参考文献：
  名称：

  硼烷催化的 2-烷基吡啶的不对称还原†

  摘要：

  在此，首次报道了一种对映选择性还原未受保护的 2-烷基吡啶的方法。通过使用频联硼烷和酰胺作为还原剂，通过涉及 1,4-硼氢化和随后转移氢化的级联过程合成了大量 2-烷基哌啶，产量高且对映选择性优异。所得产品可以很容易地转化为天然生物碱。

  DOI：

  10.1002/cjoc.202400671

文献信息

• Aminoquinazolines and their use as medicaments
  申请人：——

  公开号：US20020049197A1

  公开（公告）日：2002-04-25

  Compounds of the formula 1 having an inhibitory effect on signal transduction mediated by tyrosine kinases, their use in the treatment of diseases, especially tumoral diseases and diseases of the lungs and air-ways, and the preparation thereof

  具有抑制酪氨酸激酶介导的信号传导作用的化合物的公式，它们在治疗疾病，特别是肿瘤性疾病和肺部及呼吸道疾病中的用途，以及其制备
• [EN] OXIME ESTER PHOTOINITIATORS<br/>[FR] PHOTO-INITIATEURS À BASE D'ESTER D'OXIME
  申请人：BASF SE

  公开号：WO2021175855A1

  公开（公告）日：2021-09-10

  Disclosed are α-oxo oxime ester compounds based on carbazole derivatives which have specific substituent groups useful as a photoinitiator, as well as photopolymerizable compositions comprising said photoinitiator and ethylenically unsaturated compounds. The photopolymerizable compositions are useful, for example, in photoresist formulations for display applications, e.g. liquid crystal display (LCD), organic light emitting diode (OLED) and touch panel.

  揭示了基于咔唑衍生物的α-氧代肟酯化合物，其具有特定取代基，可用作光引发剂，以及包括所述光引发剂和乙烯不饱和化合物的光聚合组合物。这些光聚合组合物可用于例如显示应用的光阻配方，例如液晶显示器（LCD）、有机发光二极管（OLED）和触摸面板。
• 1-acylpiperidine compounds
  申请人：Ciba-Geigy Corp.

  公开号：US05310743A1

  公开（公告）日：1994-05-10

  1-Acylpiperidine compound of the formula I ##STR1## in which R.sub.1 is an optionally substituted aralkyl, aryloxyalkyl, heteroaralkyl, aroyl, heteroaroyl, cycloalkylcarbonyl, aralkanoyl, heteroarylalkanoyl, aralkoxycarbonyl or arylcarbamoyl radical or the acyl radical of an .alpha.-amino acid which is optionally N-substituted by lower alkanoyl or carbamoyl-lower-alkanoyl, R.sub.2 is cycloalkyl or an optionally substituted aryl or heteroaryl radical, R.sub.3 is hydrogen, alkyl, carbamoyl or an alkanoyl or alkenoyl radical which is optionally substituted by carboxyl or esterified or amidated carboxyl, R.sub.4 is an optionally substituted aryl or optionally partially hydrogenated heteroaryl radical, X.sub.1 is methylene, ethylene, a direct linkage, an optionally ketalised carbonyl group or an optionally etherified hydroxymethylene group, X.sub.2 is alkylene, carbonyl or a direct linkage, and X.sub.3 is carbonyl, oxo-lower-alkylene, oxo(aza)-lower-alkylene or an alkylene radical which is optionally substituted by phenyl, hydroxymethyl, optionally esterified or amidated carboxyl or, in higher than the .alpha. position, by hydroxyl, and its salts have substance-P-antagonistic properties and can be used as pharmaceutically active substances in pharmaceuticals for the treatment of disorders in whose development substance P plays an essential part.

  公式I的1-酰基哌啶化合物##STR1##中，其中R.sub.1是可选择地取代的芳基烷基，芳氧基烷基，杂芳基烷基，芳酰基，杂芳酰基，环烷基羰基，芳基酰基，杂芳基酰基，芳基羧酰基或芳基氨基酸的酰基基团，该基团可选择地通过较低的烷酰基或氨基甲酰基取代，R.sub.2是环烷基或可选择地取代的芳基或杂芳基基团，R.sub.3是氢，烷基，氨基甲酰基或可选择地通过羧基取代或酯化或酰胺化羧基的烷酰基或烯酰基基团，R.sub.4是可选择地取代的芳基或可选择部分氢化的杂芳基基团，X.sub.1是亚甲基，乙烯基，直链键，可选择地缩酮化的羰基团或可选择地醚化的羟甲亚甲基团，X.sub.2是烷基，羰基或直链键，X.sub.3是羰基，氧代-较低烷基，氧代（氮代）-较低烷基或可选择地通过苯基，羟甲基，可选择地酯化或酰胺化羧基或在高于α位时通过羟基取代的烷基基团，及其盐具有物质P拮抗性能，并可用作药用活性物质，用于治疗发展中物质P起重要作用的疾病的药物。
• [EN] HALOGENATED HETEROALKENYL- AND HETEROALKYL-FUNCTIONALIZED ORGANIC COMPOUNDS AND METHODS FOR PREPARING SUCH COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES HALOGÉNÉS À FONCTION HÉTÉROALCÉNYLE ET HÉTÉROALKYLE ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：ARKEMA INC

  公开号：WO2019067394A1

  公开（公告）日：2019-04-04

  A method for synthesizing halogenated organic compounds, such as halogenated alkenyl group-containing and halogenated alkyl group-containing compounds having a heteroatom (e.g., O,N.S) coupled to a carbon atom of a halogenated alkenyl or halogenated alkyl group, involves reacting a halogenated olefin such as a chloro-substituted trifluoropropenyl compound with an active hydrogen-containing organic compound such as an alcohol (e.g., an aliphatic monoalcohol, aliphatic polyalcohol, or a phenolic compound), a primary amine, a secondary amine or a thiol.

  合成卤代有机化合物的方法，例如含卤代烯基基团和含卤代烷基基团的化合物，其中含有一个杂原子（例如，O，N，S）与卤代烯基或卤代烷基基团的碳原子偶联，涉及将卤代烯烃（例如氯代三氟丙烯基化合物）与含有活性氢的有机化合物（例如醇（例如脂肪族单醇，脂肪族多醇或酚类化合物），一级胺，二级胺或硫醇）反应。
• PROCESS FOR PREPARING LETROZOLE
  申请人：Palle Acharyulu Venkata Raghavendra

  公开号：US20070100149A1

  公开（公告）日：2007-05-03

  A process for preparing letrozole, and purified letrozole.

  一种用于制备来曲唑和纯化来曲唑的过程。

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