三乙醇胺盐酸盐 | 637-39-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 三乙醇胺盐酸盐
• 中文别名: 盐酸三乙醇胺(XZ)；三乙醇胺-HCl；三乙醇銨鹽酸；2,2',2''-三羟基三乙胺盐酸盐；盐酸TEA盐；盐酸三乙醇胺；2''-次氮基三乙醇盐酸盐
• 英文名称: triethanolamine hydrochloride
• 英文别名: triethanolammonium chloride；triethanoloamine hydrochloride；2-[Bis(2-hydroxyethyl)amino]ethanol;hydron;chloride；2-[bis(2-hydroxyethyl)amino]ethanol;hydron;chloride
• CAS: 637-39-8
• 化学式: C₆H₁₆NO₃*Cl
• 分子量: 185.651
• InChiKey: HHLJUSLZGFYWKW-UHFFFAOYSA-N

物化性质

• 熔点：
  177-179 °C(lit.)
• 密度：
  1.354[at 20℃]
• 溶解度：
  H2O:1 Mat 20 °C,透明，无色
• LogP：
  -3.697 at 20℃
• 物理描述：
  Triethanolamine hydrochloride is the salt of triethanolamine. See the chemical datasheet for triethanolamine for more information.
• 稳定性/保质期：
  远离氧化物和水源。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.88
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.9
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• WGK Germany：
  1
• RTECS号：
  KL9346500
• 海关编码：
  2922132020
• 安全说明：
  S22,S24/25
• 储存条件：
  存放在密封容器内，并放置在阴凉、干燥处。储藏位置须远离氧化剂，避免接触湿气和水分。

SDS

Name:	Ammonia Monitor Reagent Material Safety Data Sheet
Synonym:	None
CAS:	637-39-8

Section 1 - Chemical Product MSDS Name:Ammonia Monitor Reagent Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
637-39-8	Ethanol, 2,2',2''-nitrilotris-, hydroc	1.59	211-284-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause severe eye irritation. May result in corneal injury.
May cause painful sensitization to light. May cause conjunctivitis.
Skin:
May cause skin irritation. May cause photosensitive skin reactions in certain individuals.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Prolonged or repeated skin contact may cause dermatitis.

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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.
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:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

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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. Not flammable, but reacts with most metals to form flammable hydrogen gas. Use water spray to keep fire-exposed containers cool.
Extinguishing Media:
Substance is nonflammable; use agent most appropriate to extinguish surrounding fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Large spills may be neutralized with dilute alkaline solutions of soda ash (sodium carbonate, Na2CO3), or lime (calcium oxide, CaO).
Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.

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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 skin and eyes. Avoid ingestion and inhalation.
Storage:
Keep away from heat and flame. Do not store in direct sunlight.
Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 637-39-8: CAS# 7732-18-5: 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: Liquid
Color: colorless
Odor: Not available.
pH: 1.6
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Miscible with water.
Specific Gravity/Density: 1.01 (Water=1)
Molecular Formula: Mixture
Molecular Weight:

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Acetate, acetic anhydride, alcohols + hydrogen cyanide, 2-aminoethanol, ammonium hydroxide, calcium carbide, calcium phosphide, cesium acetylene carbide, cesium carbide, chlorosulfonic acid, 1,1-difluoroethylene, ethylene diamine, ethyleneimine, fluorine, lithium silicide, magnesium boride, mercuric sulfate, oleum, perchloric acid, potassium permanganate, b-propiolactone, propylene oxide, rubidum acetylene carbide, rubidum carbide, silver perchlorate + carbon tetrachloride, sodium, sodium hydroxide, sulfuric acid, uranium phosphide, vinyl acetate. Substance polymerizes on contact with aldehydes or epoxides.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen gas.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 637-39-8: KL9346500 CAS# 7732-18-5: ZC0110000 LD50/LC50:
Not available.
CAS# 7732-18-5: Oral, rat: LD50 = >90 mL/kg.
Carcinogenicity:
Ethanol, 2,2',2''-nitrilotris-, hydrochloride - Not listed by ACGIH, IARC, or NTP.
Water - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Trout LC100=10 mg/L/24H Shrimp LC50=100-330 ppm Starfish LC50=100-330mg/L/48H Shore crab LC50=240 mg/L/48H Chronic plant toxicity=100 ppm

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Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 637-39-8: 1
CAS# 7732-18-5: No information available.
Canada
CAS# 637-39-8 is listed on Canada's DSL List.
CAS# 7732-18-5 is listed on Canada's DSL List.
CAS# 637-39-8 is not listed on Canada's Ingredient Disclosure List.
CAS# 7732-18-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 637-39-8 is listed on the TSCA inventory.
CAS# 7732-18-5 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：测量锡和锑、软化剂以及合成树脂。

反应信息

• 作为反应物：
  描述：

  三乙醇胺盐酸盐 200.0~205.0 ℃ 、5.33 kPa 条件下， 生成 2-吗啉乙醇
  参考文献：
  名称：

  SOME NEW LOCAL ANESTHETICS CONTAINING THE MORPHOLINE RING

  摘要：

  DOI：

  10.1021/ja01358a049
• 作为产物：
  描述：

  三乙醇胺 在 mercury dichloride 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以5%的产率得到三乙醇胺盐酸盐
  参考文献：
  名称：

  Structural study of the coordination behavior of a tetradentate NO₃-donor amino alcohol ligand toward a Cd^II:Hg^II mixture

  摘要：

  本文研究了2,2′,2″-硝基三乙醇(NTE)与CdI₂和HgI₂的1:1混合物的反应。合成并鉴定了复合物[Cd(NTE)₂][Hg₂(μ-I)₂I₄]，并通过元素分析、FT-IR、¹H NMR光谱和单晶X射线衍射确定了其结构。还介绍了[HNTE]Cl盐的结构。在复合物的晶体结构中，镉原子具有CdN₂O₆的环境，呈略微扭曲的立方体几何形状。这种几何形状是镉配合物Cambridge结构数据库中罕见的最小扭曲之一。阴离子部分具有双核结构，其中汞原子处于四面体环境中。在复合物的网络中，除了O−H · · · I氢键外，还有I · · · I相互作用，导致了十元环。

  DOI：

  10.1515/znb-2016-0222
• 作为试剂：
  描述：

  isopropyl (ethoxy(4-nitrophenoxy)phosphoryl)-L-alaninate 在 三乙醇胺盐酸盐 、 S_. cerevisiae carboxypeptidase Y 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (ethoxy(hydroxy)phosphoryl)-L-alanine
  参考文献：
  名称：

  ProTide 激活机制的区域化学分析

  摘要：

  ProTides 是用于治疗特定病毒感染的核苷酸类似物。这些化合物由掩蔽的核苷酸组成，该核苷酸在体内经历酶促和自发化学转化，产生游离的单核苷酸，最终转化为具有药用活性的三磷酸化药物。FDA 批准的三种 ProTides 由一个磷酸酰胺 （P-N） 核心与核苷类似物、苯酚和 l-丙烷基羧酸酯偶联组成。先前提出的活化机制假设存在不稳定的 5 元混合酸酐环状中间体，该中间体是由 l-丙烷基部分的羧酸盐基团的直接攻击与苯酚的排出形成的。进一步假设混合酸酐环状中间体发生自发水解，形成线性 l-丙氨酰氨基磷酸酯产物。在提出的激活机制中，先前已使用质谱法检测到 5 元混合酸酐中间体，但尚未确定水亲核攻击的特定位点（P-O 与 C-O）。为了进一步研究 ProTide 激活过程中形成的假定 5 元环状中间体的水解机制，使用可被羧肽酶 Y 激活的 ProTide 类似物在 18O 标记的水中进行反应。质谱和

  DOI：

  10.1021/acs.biochem.4c00176

文献信息

• [EN] A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS<br/>[FR] CONJUGUÉ D'UN AGENT CYTOTOXIQUE À UNE MOLÉCULE DE LIAISON CELLULAIRE AVEC DES LIEURS RAMIFIÉS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2020257998A1

  公开（公告）日：2020-12-30

  Provided is a conjugation of cytotoxic drug to a cell-binding molecule with a side-chain linker. It provides side-chain linkage methods of making a conjugate of a cytotoxic molecule to a cell-binding ligand, as well as methods of using the conjugate in targeted treatment of cancer, infection and immunological disorders.

  提供了一种将细胞毒性药物与一个侧链连接分子结合的共轭物。它提供了制备细胞毒性分子与细胞结合配体的共轭物的侧链连接方法，以及在靶向治疗癌症、感染和免疫性疾病中使用该共轭物的方法。
• [EN] CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES<br/>[FR] DÉRIVÉ DE DIMÈRE DE PYRROLOBENZODIAZÉPINE RÉTICULÉ (PBD) ET SES CONJUGUÉS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2020006722A1

  公开（公告）日：2020-01-09

  A novel cross-linked cytotoxic agents, pyrrolobenzo-diazepine dimer (PBD) derivatives, and their conjugates to a cell-binding molecule, a method for preparation of the conjugates and the therapeutic use of the conjugates.

  一种新型的交联细胞毒剂，吡咯苯并二氮杂环二聚体（PBD）衍生物，以及它们与细胞结合分子的结合物，一种制备这些结合物的方法以及这些结合物的治疗用途。
• [EN] TYPE 4 PREPILIN PEPTIDASE INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DE LA PRÉPILINE PEPTIDASE DE TYPE 4 ET PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：DARTMOUTH COLLEGE

  公开号：WO2015123130A1

  公开（公告）日：2015-08-20

  Compounds for inhibiting Type 4 Prepilin Peptidases are provided as are methods of using the compounds as anti-bacterial agents.

  抑制Type 4前体肽酶的化合物及其作为抗细菌剂的用途方法。
• [EN] BIOCATALYTIC PROCESSES FOR THE PREPARATION OF VILANTEROL<br/>[FR] PROCÉDÉS BIOCATALYTIQUES DE PRÉPARATION DE VILANTÉROL
  申请人：TEVA PHARMACEUTICALS INT GMBH

  公开号：WO2017001907A1

  公开（公告）日：2017-01-05

  A process for preparing Vilanterol includes a biocatalytic conversion of a ketone substrate to its corresponding alcohol, and then converting the obtained alcohol into Vilanterol. Polypeptides may be used for the biocatalytic conversion of the ketone substrate, such as 2-bromo-l-(2,2-dimethyl-4H-l,3-benzodioxin-6-yl)ethanone, to an enantiopure alcohol, (R)-2-bromo-l-(2,2-dimethyl-4H-l,3-benzodioxin-6-yl)ethanol for the preparation of Vilanterol. Also disclosed is vilanterol tartrate and solid state forms thereof for use as medicaments and for the preparation of other vilanterol salts, or of vilanterol, solid state forms and/or formulations thereof. Also disclosed is a process for the preparation of pharmaceutical formulations including vilanterol tartrate and solid state forms thereof, as well as a method of treating a person suffering from COPD and asthma by administering a therapeutically effective amount of any one or a combination of vilanterol tartrate and solid state forms thereof or a pharmaceutical composition and/or formulation comprising vilanterol tartrate and solid state forms thereof.

  制备维兰特罗的过程包括将酮底物进行生物催化转化为其相应的醇，然后将得到的醇转化为维兰特罗。多肽可用于酮底物的生物催化转化，例如将2-溴-1-(2,2-二甲基-4H-1,3-苯并二氧杂环己-6-基)乙酮转化为对映纯醇，(R)-2-溴-1-(2,2-二甲基-4H-1,3-苯并二氧杂环己-6-基)乙醇，用于制备维兰特罗。还公开了维兰特罗酒石酸盐及其作为药物用途的固态形式，以及用于制备其他维兰特罗盐或维兰特罗、固态形式和/或其制剂。还公开了一种包括维兰特罗酒石酸盐和固态形式的制备药物制剂的过程，以及通过给予治疗有效量的维兰特罗酒石酸盐和固态形式的任一种或组合，或包含维兰特罗酒石酸盐和固态形式的药物组合物和/或制剂，来治疗患有慢性阻塞性肺病(COPD)和哮喘的人的方法。
• [EN] CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS<br/>[FR] LIEURS DE CONJUGAISON, CONJUGUÉS MÉDICAMENT-MOLÉCULE DE LIAISON À UNE CELLULE CONTENANT LESDITS LIEURS, PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE TELS CONJUGUÉS AVEC LES LIEURS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2018086139A1

  公开（公告）日：2018-05-17

  The present invention relates to linkers having a group of propiolyl, substituted acryl (acryloyl), or disubstituted propanoyl, and using such linkers for the conjugation of compounds, in particular, cytotoxic agents to a cell-binding molecule.

  本发明涉及具有丙炔基、取代丙烯酰（丙烯酰）或二取代丙酰基的连接剂，并使用这些连接剂将化合物，特别是细胞毒性药剂，与细胞结合分子结合。

表征谱图