三乙胺氢溴酸盐 | 636-70-4

• 物质功能分类: 有机原料 - 氨基化合物 - 无环单胺、多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 三乙胺氢溴酸盐
• 中文别名: 三乙胺氢溴酸
• 英文名称: triethylamine hydrobromide
• 英文别名: triethylammonium bromide；TEAB；triethylazanium;bromide
• CAS: 636-70-4
• 化学式: Br*C₆H₁₆N
• 分子量: 182.104
• InChiKey: NRTLTGGGUQIRRT-UHFFFAOYSA-N

物化性质

• 熔点：
  246-248°C
• 密度：
  1.314[at 20℃]
• 闪点：
  >65℃
• LogP：
  0.3 at 25℃
• 稳定性/保质期：
  远离氧化物、湿气和水分。

计算性质

• 辛醇/水分配系数(LogP)：
  -3.06
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.4
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  29211999
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H319,H335
• 储存条件：
  存储时，请将其放置于密封容器中，并存放在阴凉、干燥的地方。务必远离氧化剂，避免接触湿气和水分。

SDS

Name:	Triethylamine hydrobromide Material Safety Data Sheet
Synonym:	None Known
CAS:	636-70-4

Section 1 - Chemical Product MSDS Name:Triethylamine hydrobromide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
636-70-4	Triethylamine hydrobromide	99	211-263-8

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 irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. 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. Will burn if involved in a fire.
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:
Keep away from sources of ignition. 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# 636-70-4: 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: Crystalline powder
Color: white
Odor: slight
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: > 65 deg C (> 149.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H16BrN
Molecular Weight: 182.0227

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Dust generation, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, halides.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 636-70-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Triethylamine hydrobromide - 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# 636-70-4: No information available.
Canada
CAS# 636-70-4 is listed on Canada's NDSL List.
CAS# 636-70-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 636-70-4 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质

三乙胺氢溴酸盐是三乙胺的盐型，为无色油状液体，带有强烈的氨臭味。它易燃且稍溶于水，但能很好地溶解在乙醇、乙醚等有机溶剂中。

用途

三乙胺氢溴酸盐可用于合成联硼酸频那醇酯。

制备

三乙胺氢溴酸盐可通过三乙胺与氢溴酸反应制得： [ (C_2H_5)_3N + HBr \rightarrow [(C_2H_5)_3NH]Br ]

危害

三乙胺氢溴酸盐具有刺激性和毒性，误吞咽会导致中毒，并可能烧伤皮肤。其蒸汽会对眼睛和粘膜产生强烈刺激作用。遇明火、高温或强氧化剂时，存在燃烧和爆炸的风险。

反应信息

• 作为反应物：
  描述：

  三乙胺氢溴酸盐 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 生成 dimethyl (2E)-2-(diethylamino)but-2-enedioate
  参考文献：
  名称：

  Mono- and disubstituted vinyltrialkylammonium compounds. Synthesis and stereochemistry

  摘要：

  DOI：

  10.1021/jo00956a025
• 作为产物：
  描述：

  溴甲基乙酸酯 在 三乙胺 作用下， 以 丙酮 、 乙腈 为溶剂， 生成 三乙胺氢溴酸盐
  参考文献：
  名称：

  2-Oxo-4-carboxy-pyrimidines

  摘要：

  用于抑制二氢乳清酸酶的化合物，其具有通用公式 (I) 其中 (i) A和B一起是=S 或者 (ii) A是-H，B是-COR₂或-SR₆；以及 R₁和R₂可以是相同的或不同的，是-OH；烷氧基甲基，二肽、三肽或多肽基团，-OR，其中R是饱和或不饱和的C1-16烷基，C1-16烷氧基甲基，或4-烷基-哌啶基-烷基，-NRʹRʹ，其中每个Rʹ独立地选自-H，饱和或不饱和的C1-16烷基，或任何能在体内被水解为羟基的基团； R₃和R₄可以是相同的或不同的，是-H，C1-6烷基，羟基C1-16烷基，羟基C1-6醚基团，四氢呋喃基，四氢吡喃基，糖或乙酰化糖基团，己基氨基甲酰基，甲基甘氨酸-N-甲酰基，或任何能在体内被水解为-H的基团； R₅是-H，卤素，或C1-6烷基； R₆是C1-6烷基或1-甲基-4-硝基咪唑-5-基；点线代表的双键可能在4-5位置存在或不存在。这些化合物可用作抗癌症和抗疟疾药物。

  公开号：

  EP0260057A3
• 作为试剂：
  描述：

  咪唑 、 guanosine-5′-diphosphate trisodium salt 、 三乙胺 在 三乙胺氢溴酸盐 、 2,2'-二硫二吡啶 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 triethylammonium 1P-guanosin-5'-yl diphosphate P2-imidazolide
  参考文献：
  名称：

  2'- O-烯丙基取代的二核苷酸帽类似物的mRNA翻译及其合成及评价

  摘要：

  报道了在m 7 G部分上包含2'-OH修饰的新类似物，即m 7,2' -O-烯丙基GpppG的合成和生物学评估的第一个实例。通过使用T7 RNA聚合酶，封端效率和翻译活性，已就2'- O-烯丙基取代对cap类似物的体外转录作用进行了评估。凝胶位移分析表明，新的盖帽类似物具有59％的盖帽效率，而标准盖帽类似物m 7GpppG的封顶效率为70％。封盖效率实验清楚地表明，新的类似物是T7 RNA聚合酶的底物。定向的性质已经通过HPLC确定，该HPLC揭示了新的类似物仅以正向结合。值得注意的是，被2'- O-烯丙基取代的帽类似物封端的mRNA poly（A）的翻译效率是被标准帽类似物封端的mRNA的1.7倍。基于与标准帽类似物相比更高的翻译数据，新的类似物可能会找到利用mRNA转染的应用，例如蛋白质生产，抗癌免疫和基因治疗。

  DOI：

  10.1016/j.bmc.2010.09.013

文献信息

• [EN] PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 1-[(3R)-3-[4-AMINO-3-(4-PHÉNOXYPHÉNYL)-1H- PYRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPÉRIDINYL]-2-PROPÈN-1-ONE ET DE SES POLYMORPHES
  申请人：MSN LABORATORIES PRIVATE LTD

  公开号：WO2016170545A1

  公开（公告）日：2016-10-27

  The present invention relates to an improved process for the preparation of 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)- 1 H-pyrazolo[3,4-d]pyrimidin- 1 -yl]- 1 -piperidin yl]-2-propen-1-one compound of formula- 1 and its polymorphs thereof, which is represented by the following structural formula:

  本发明涉及一种改进的制备1-[(3R)-3-[4-氨基-3-(4-苯氧基苯基)-1H-吡唑并[3,4-d]嘧啶-1-基]-1-哌啶基]-2-丙烯-1-酮化合物及其多晶形式的方法，其由以下结构式表示：
• Density and Dimensional Control of π-Electrons in Electrostatically Binding Naphthalenediimide Salts
  作者：Ayumi Kawasaki、Takashi Takeda、Norihisa Hoshino、Wakana Matsuda、Shu Seki、Tomoyuki Akutagawa

  DOI：10.1021/acs.cgd.9b01526

  日期：2020.2.5

  [(C2H5)2NH2+]2(BSNDI2–) (4), and [(C2H5)3NH+]2(BSNDI2–) (5). The thermal stability, crystal structure, electron transport properties, and dielectric response were evaluated for these systems in terms of π-electron density and dimensional crossover from two-dimensional (2D) and one-dimensional (1D) to zero-dimensional (0D) electronic structures. Systematic modification of the counter cations from NH4+ to simple alkylammoniums

  双阴离子双（苯磺酸盐）-萘二酰亚胺（BSNDI 2–）形成（NH 4 +）2（BSNDI 2–）（1），（CH 3 NH 3 +）2（BSNDI 2–）的简单2：1阳离子-阴离子盐。（2），（C 2 H 5 NH 3 +）2（BSNDI 2–）（3），[（C 2 H 5）2 NH 2 + ] 2（BSNDI 2–）（4）和[（C 2 H 5）3 NH + ] 2（BSNDI 2–）（5）。根据π电子密度和从二维（2D）和一维（1D）到零维（0D）的尺寸交叉，评估了这些系统的热稳定性，晶体结构，电子传输特性和介电响应。电子结构。从NH 4 +到单烷基铵（CH 3 NH 3 +，C 2 H 5 NH 3+，（C 2 H ^ 5）2 NH 2 +，和（C 2 H ^ 5）3 NH +），用于BSNDI 2-盐影响的填充π密度和维度NDI π型芯体。所有单晶形成交替的阳离子-阴离子层，其中在盐的分
• Synthesis of Bridgehead Nitrogen Heterocycles via Cyclization of α-Ammonio 5-Hexenyl Radicals
  作者：Ernest W. Della、Paul A. Smith

  DOI：10.1021/jo9813538

  日期：1999.3.1

  bicyclic salts so obtained unexpectedly leads to rupture of one of the rings rather than loss of the N-methyl group. The 1-azabicyclo[2.2.1]heptane could be accessed readily via tin hydride-induced cyclization of the corresponding N-phenylethylammonium salt 54, followed by Hofmann elimination with potassium tert-butoxide.

  根据基于MP4SDTQ / 6-31G从头算的预测，2,2-二甲基-2-氮杂-5-己烯基自由基（4）的闭环反应平稳有效地进行，从而基本上定量给出了5-exo异构体。 α-铵基的热力学稳定性 相应的5-己炔基自由基物质15及其6-苯基衍生物19显示出相似的行为，从而以高收率提供了类似的5-exo-3-亚甲基吡咯烷鎓盐。在这些情况下均未检测到还原产物。通过用氢化三丁基锡处理碘代甲基和/或苯基硒代甲基盐方便地产生所有自由基中间体。将该方法应用于单环前体，如1-甲基-1-碘甲基-4-亚甲基-1-氮杂环己基碘化物（31），为1-氮杂双环[2.2.1]庚基系统的季衍生物提供了诱人的入口，收率很高通过1-甲基哌啶酮的三步法 如此获得的双环盐的脱季铵盐出乎意料地导致环之一的断裂而不是N-甲基的损失。可以通过氢化锡诱导相应的N-苯基乙基铵盐54的环化反应，然后用叔丁醇钾进行霍夫曼消除，轻松获得1-氮杂双环[2
• 2-oxo-4-carboxy-pyrimidines and their use as anti-malaria and
  申请人：The University of Melbourne

  公开号：US04873228A1

  公开（公告）日：1989-10-10

  A compound for use as an inhibitor for the enzyme dihydroorotase and which is of general formula (I) ##STR1## where either (i) A and B together are .dbd.S or (ii) A is --H, and B is --COR.sub.2 or --SR.sub.6 ; and R.sub.1 and R.sub.2 which may be the same or different are --OH; alkyloxymethyl, a di-, tri- or polypeptide group, --OR where R is saturated or unsaturated C.sub.1-16 alkyl, C.sub.1-16 alkyloxymethyl, or 4-alkyl-piperidinyl-alkyl, --NR'R' where each R' is independently selected from --H, saturated or unsaturated C.sub.1-16 alkyl, or any group above to be hydrolyzed in vivo to hydroxy; R.sub.3 and R.sub.4 which may be the same or different are --H, C.sub.1-6 alkyl, hydroxy C.sub.1-16 alkyl, hydroxy C.sub.1-6 ether group, tetrahydrofuranyl, tetrahydropyranyl, a sugar or acetylated sugar group, hexylcarbamyl, methylglycine-N-carbonyl, or any group able to be hydrolyzed in vivo to --H; R.sub.5 is --H, halo, or C.sub.1-6 alkyl; R.sub.6 is C.sub.1-6 alkyl or 1-methyl-4-nitroimidazol-5-yl; and the dotted line represents a double bond which may be absent or present in the 4-5 position. The compounds are useful as anti-cancer and anti-malarial drugs.

  用于抑制二氢乳清酸酶的化合物，其具有通用公式 (I) ##STR1## 其中 (i) A和B共同是.dbd.S或(ii) A是--H，B是--COR.sub.2或--SR.sub.6；R.sub.1和R.sub.2相同或不同，是--OH；烷氧基甲基，二肽、三肽或多肽组，--OR，其中R是饱和或不饱和的C.sub.1-16烷基，C.sub.1-16烷氧基甲基，或4-烷基-哌啶基-烷基，--NR'R'，其中每个R'独立地选自--H，饱和或不饱和的C.sub.1-16烷基，或任何在体内可被水解为羟基的上述组；R.sub.3和R.sub.4相同或不同，是--H，C.sub.1-6烷基，羟基C.sub.1-16烷基，羟基C.sub.1-6醚基，四氢呋喃基，四氢吡喃基，糖或乙酰化糖基，己基氨基甲酰基，甲基甘氨酸-N-甲酰基，或任何在体内可被水解为--H的组；R.sub.5是--H，卤素或C.sub.1-6烷基；R.sub.6是C.sub.1-6烷基或1-甲基-4-硝基咪唑-5-基；虚线代表一个双键，它可以在4-5位置不存在或存在。这些化合物可用作抗癌和抗疟疾药物。
• [EN] GEMINI SURFACTANTS<br/>[FR] TENSIOACTIFS GEMINI
  申请人：ST FRANCIS XAVIER UNIVERSITY

  公开号：WO2010048715A1

  公开（公告）日：2010-05-06

  The invention relates to gemini surfactants of formula IA wherein A is a core derived from an organic polyhydroxy compound; R1 and R2 are each independently a hydrophobic group; and R3 and R4 are each independently a surfactant head group. Such surfactants can be used as components of fluids used in the petroleum industry or used in formulating cleansing compositions or detergent compositions.

  这项发明涉及的是 Gemini 表面活性剂，其化学公式为 IA，其中 A 是源自有机多羟基化合物的核心；R1 和 R2 各自独立地为疏水基团；R3 和 R4 各自独立地为表面活性剂的头基团。这类表面活性剂可用作石油工业中使用的流体的组成部分，或用于配制清洁剂或洗涤剂。