丙基三辛基氯化铵 | 40739-43-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 丙基三辛基氯化铵
• 英文名称: trioctylpropylammonium chloride
• 英文别名: tri-n-octyl-n-propylammonium chloride；trioctyl(propyl)azanium;chloride
• CAS: 40739-43-3
• 化学式: C₂₇H₅₈N*Cl
• 分子量: 432.217
• InChiKey: WFEXFNMTEBFLMM-UHFFFAOYSA-M

物化性质

• 沸点：
  582.06°C (rough estimate)
• 密度：
  0.8640 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  29
• 可旋转键数：
  23
• 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

SDS

Name:	Trioctylpropylammonium Chloride (Pract) 95% (Titr.) Material Safety Data Sheet
Synonym:	1-Octanaminium, N,N-Dioctyl-N-Propyl-, Chloride
CAS:	40739-43-3

Section 1 - Chemical Product MSDS Name:Trioctylpropylammonium Chloride (Pract) 95% (Titr.) Material Safety Data Sheet
Synonym:1-Octanaminium, N,N-Dioctyl-N-Propyl-, Chloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
40739-43-3	1-Octanaminium, N,N-Dioctyl-N-Propyl-,	95	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.The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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:
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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
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. Remove all sources of ignition. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 40739-43-3: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: almost colorless
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: > 93 deg C (> 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C27H58ClN
Molecular Weight: 432.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, chlorine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 40739-43-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Octanaminium, N,N-Dioctyl-N-Propyl-, 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 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 40739-43-3: No information available.
Canada
CAS# 40739-43-3 is listed on Canada's NDSL List.
CAS# 40739-43-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40739-43-3 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：

  丙基三辛基氯化铵 、 3,5-dibromocyclopentene 以 水 、 苯 为溶剂， 生成 Cis-3,5-二乙酰氧基-1-环戊烯
  参考文献：
  名称：

  Process for the preparation of 1,4-diacetoxycyclopent-2-ene

  摘要：

  一种制备1,4-二乙酰氧基环戊-2-烯的过程，包括将1,4-二溴环戊-2-烯的溶液与一种惰性有机溶剂接触，该溶剂在水中略微溶解或不溶解，与至少一种乙酸金属盐的水溶液或悬浮液接触，该金属盐至少部分可溶于水，在阳离子表面活性剂的存在下进行。

  公开号：

  US04001308A1

文献信息

• [EN] NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF<br/>[FR] NOUVEAU PROCÉDÉ POUR LA PRÉPARATION DE LA LÉVOCÉTIRIZINE ET DE SES INTERMÉDIAIRES
  申请人：KRKA TOVARNA ZDRAVIL D D NOVO

  公开号：WO2009150147A1

  公开（公告）日：2009-12-17

  The present invention describes a novel process for the preparation of levocetirizine and pharmaceutically acceptable acid addition salts thereof via a ketocetirizine ester and new ketocetirizine ester intermediates used in that process. reaction of ketocetirizine of the formula (IIIb) to a ketocetirizine ester of the formula (IV) or a salt thereof.

  本发明描述了一种通过酮西替利嗪酯和在该过程中使用的新的酮西替利嗪酯中间体制备左西替利嗪及其药用可接受的酸盐的新颖过程。将式（IIIb）的酮西替利嗪反应成式（IV）的酮西替利嗪酯或其盐。
• [EN] DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE<br/>[FR] DÉRIVÉS DE BENZYLBENZÈNE DEUTÉRÉS ET PROCÉDÉS D'UTILISATION
  申请人：THERACOS INC

  公开号：WO2010009243A1

  公开（公告）日：2010-01-21

  Provided are compounds having an inhibitory effect on sodium-dependent glucose cotransporter SGLT. The invention also provides pharmaceutical compositions, methods of preparing the compounds, synthetic intermediates, and methods of using the compounds, independently or in combination with other therapeutic agents, for treating diseases and conditions that are affected by SGLT inhibition.

  提供了对钠依赖性葡萄糖共转运蛋白SGLT具有抑制作用的化合物。本发明还提供了制药组合物、制备这些化合物的方法、合成中间体以及使用这些化合物的方法，可以独立使用或与其他治疗剂联合使用，用于治疗受SGLT抑制影响的疾病和病况。
• [EN] 2-METHYL-THIENO-BENZODIAZEPINE PROCESS<br/>[FR] PROCEDE DE PREPARATION DE 2-METHYL-THIENO-BENZODIAZEPINE
  申请人：WATSON PHARMACEUTICALS INC

  公开号：WO2004094390A1

  公开（公告）日：2004-11-04

  The present invention relates to a novel multistep process for preparing thieno­benzodiazepine derivatives having the following structure (I).

  本发明涉及一种用于制备具有以下结构（I）的噻吩-苯二氮杂环己烯衍生物的新型多步骤工艺。
• [EN] A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF<br/>[FR] PROCÉDÉ D'ÉLABORATION DE MARBOFLOXACINE, ET INTERMÉDIAIRE À CET EFFET
  申请人：KRKA TOVARNA ZDRAVIL D D NOVO MESTO

  公开号：WO2011061292A1

  公开（公告）日：2011-05-26

  The present invention describes a novel process for the preparation of marbof loxacin and intermediate thereof comprising reaction of ammonium hydroxide of formula (III), NR1R2R3R4, wherein R1, R2, R3 and R4 are independently selected from the group of H, alkyl, alkylaryl, aryl and/or heteroaryl, with compound of formula (II), wherein R is selected from H, alkyl, arylalkyl, alkali metal cation,, NH4 cation, NR1R2R3R4cation; X is halogen, such as chloro, bromo, fluoro, piperazinyl, which may be substituted or unsubstituted, and R' is selected from H, formyl or COOAlkyl.

  该发明描述了一种新颖的马伯氟沙星及其中间体的制备方法，包括将化学式（III）的氢氧化铵（NR1R2R3R4，其中R1、R2、R3和R4独立地选自H、烷基、烷基芳基、芳基和/或杂环烷基）与化学式（II）的化合物反应，其中R选自H、烷基、芳基烷基、碱金属阳离子、NH4阳离子、NR1R2R3R4阳离子；X为卤素，如氯、溴、氟、哌嗪基，可能被取代或未取代，R'选自H、甲酰基或COO烷基。
• [EN] PROCESS FOR THE PREPARATION OF 1-ARYL-1-CYANOCYCLOBUTANE DERIVATIVES<br/>[FR] PROCEDE DE PREPARATION DE DERIVES DE 1-ARYL-1-CYANOCYCLOBUTANE
  申请人：KNOLL AG

  公开号：WO1997020810A1

  公开（公告）日：1997-06-12

  A process for the preparation of arylcyclobutylnitrile derivatives which involves reaction of a solution of a 1,3-dihalopropane and a cyanobenzyl derivative in a substantially dimethyl sulphoxide-free solvent with a suspension of a base in a substantially dimethyl sulphoxide-free solvent at a temperature of at least 35 °C.

  一种合成芳基环丁基腈衍生物的方法，涉及将1,3-二卤丙烷和氰苯基衍生物的溶液在基本上不含二甲基亚砜的溶剂中与基本上不含二甲基亚砜的溶剂中的碱悬浮液反应，在至少35°C的温度下进行。