1,2-乙二磺酸 | 110-04-3

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸/亚磺酸
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 1,2-乙二磺酸
• 中文别名: 1,2-乙二磺酸水合物；1,2-乙烷二磺酸二水合物
• 英文名称: ethane-1,2-disulphonic acid
• 英文别名: 1,2-ethanedisulfonic acid；ethanedisulfonic acid；ethane-1,2-disulfonic acid；EDSA；edisylic acid；Aethandisulfonsaeure-(1,2)；Aethan-1,2-disulfonsaeure；1,2-Aethandisulfonsaeure
• CAS: 110-04-3
• 化学式: C₂H₆O₆S₂
• mdl: MFCD00069901
• 分子量: 190.198
• InChiKey: AFAXGSQYZLGZPG-UHFFFAOYSA-N

物化性质

• 熔点：
  109 °C
• 密度：
  1.545 (estimate)
• 溶解度：
  可溶于二甲基亚砜（少量）
• pKa：
  0.71±0.50 (Predicted,Most Acidic Temp: 25 °C)
• 稳定性/保质期：
  具有腐蚀性和刺激性，皮肤接触可能会引起过敏反应，因此操作人员应穿戴适当的防护装备。

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  10
• 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：
  126
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S27,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2904100000
• 危险品运输编号：
  2585
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P260,P303+P361+P353,P301+P330+P331,P405,P501,P305+P351+P338
• 危险性描述：
  H314
• 储存条件：
  室温且干燥

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 1,2-Ethanedisulfonic Acid, Dihydrate
Portland OR
Synonym 1,2-Ethanedisulfonic acid (CA INDEX)
C2H6O6S2. 2H2O
Chemical Formula
110-04-3
CAS Number

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Section II. Composition and Information on Ingredients
Toxicology Data
Chemical Name CAS Number Percent (%) TLV/PEL
1,2-Ethanedisulfonic Acid, Dihydrate 110-04-3 Min. 95.0 (T) Not available. Not available.

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Section III. Hazards Identification
Acute Health Effects Corrosive to eyes and skin. The amount of tissue damage depends on length of contact. Eye contact can result in corneal
damage or blindness. Skin contact can produce inflammation and blistering. Inhalation of dust will produce irritation to
gastro-intestinal or respiratory tract, characterized by burning, sneezing and coughing. Severe over-exposure can produce
lung damage, choking, unconsciousness or death.
Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce local
skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or lung
damage.

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Section IV. First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
Eye Contact
minutes. Get medical attention.
In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
Skin Contact
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion DO NOT INDUCE VOMITING. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing,
perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible
indication that the toxic material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
May be combustible at high temperature. Auto-Ignition
Flammability
Flash Points Flammable Limits Not available.
Not available.
These products are toxic carbon oxides (CO, CO2), sulfur oxides (SO2, SO3...).
Combustion Products
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
1,2-Ethanedisulfonic Acid, Dihydrate

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Section VI. Accidental Release Measures
Spill Cleanup Corrosive material. Harmful material. Hygroscopic material.
Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
Instructions
vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition. Consult
federal, state, and/or local authorities for assistance on disposal.

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Section VII. Handling and Storage
CORROSIVE. HARMFUL. HYGROSCOPIC. Keep container dry. Keep away from heat. Mechanical exhaust required.
Handling and Storage
When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe
Information
dust. Never add water to this product. Wear suitable protective clothing. If you feel unwell, seek medical attention and show
the label when possible. Treat symptomatically and supportively.
Always store away from incompatible compounds such as oxidizing agents, alkalis (bases), moisture.

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Section VIII. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
Engineering Controls
exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Gloves. A MSHA/NIOSH approved respirator must be used to avoid inhalation of
the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solid. (Light grey~yellowish-grey Solubility
Physical state @ 20°C Very soluble in: Dioxane. Soluble in:
crystalline powder and small granular Ethanol, Ether, Water.
solid)
Not available.
Specific Gravity
190.2 (Anh)
Molecular Weight Partition Coefficient Not available.
Boiling Point Not available. Vapor Pressure Not applicable.
112°C (233.6°F) Not available.
Melting Point Vapor Density
Refractive Index Not available. Volatility Not available.
Not available. Not available.
Critical Temperature Odor
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Highly reactive with oxidizing agents, alkalis (bases), moisture.

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Section XI. Toxicological Information
Not available.
RTECS Number
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Not available.
Toxicity Data
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce local
skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or lung
damage.
Acute Toxic Effects Corrosive to eyes and skin. The amount of tissue damage depends on length of contact. Eye contact can result in corneal
damage or blindness. Skin contact can produce inflammation and blistering. Inhalation of dust will produce irritation to
gastro-intestinal or respiratory tract, characterized by burning, sneezing and coughing. Severe over-exposure can produce
lung damage, choking, unconsciousness or death.
Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
1,2-Ethanedisulfonic Acid, Dihydrate

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Section XII. Ecological Information
Ecotoxicity Not available.
Not available.
Environmental Fate

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification DOT Class 8: Corrosive material
PIN Number
Proper Shipping Name Alkylsulphonic acids, solid
III
Packing Group (PG)
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification On DSL.
(Canada)
EINECS Number (EEC) 203-732-0
EEC Risk Statements R34- Causes burns.
R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法： 1,2-二氯乙烷与亚硫酸钠进行置换反应，生成乙烷二磺酸二钠盐。将钠盐溶于水，以每小时2.5~3kg的速度通过装有001×7型强酸性苯乙烯系阳离子交换树脂（732#）的交换柱，分段收集交换液，其中pH=3～1的部分含有90%以上的乙烷二磺酸。随后进行减压浓缩去除水分，呈糖浆状，最后在100℃下干燥得到成品。

合成制备方法： 与上述制备方法相同：1,2-二氯乙烷与亚硫酸钠进行置换反应生成乙烷二磺酸二钠盐。将钠盐溶于水，以每小时2.5~3kg的速度通过装有001×7型强酸性苯乙烯系阳离子交换树脂（732#）的交换柱，分段收集交换液，其中pH=3～1的部分含有90%以上的乙烷二磺酸。随后进行减压浓缩去除水分，呈糖浆状，最后在100℃下干燥得到成品。

用途简介： 作为医药中间体，主要用于非麻醉性止咳药咳美芬的生产。

用途： 与用途简介相同：作为医药中间体，主要用于非麻醉性止咳药咳美芬的生产。

反应信息

• 作为反应物：
  描述：

  1,2-乙二磺酸 在 聚合甲醛 、 phosphorus pentoxide 作用下， 反应 10.0h， 以69.2%的产率得到methylene 1,2-ethanedisulfonate
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF METHYLENE DISULFONATE COMPOUND

  摘要：

  公开号：

  EP2011791B1
• 作为产物：
  描述：

  丙酰胺 在 硫酸 作用下， 生成 1,2-乙二磺酸
  参考文献：
  名称：

  Buckton; Hofmann,A.W., Justus Liebigs Annalen der Chemie, 1856, vol. 100, p. 148,150

  摘要：

  DOI：
• 作为试剂：
  描述：

  乙烯酮 、 4-甲基-3戊烯-2-酮 在 1,2-乙二磺酸 作用下， 生成 4-甲基-1,3-戊二烯-2-基乙酸酯
  参考文献：
  名称：

  Production of enol acetates

  摘要：

  公开号：

  US02461016A1

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE COMME INHIBITEURS DES BROMODOMAINES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016146738A1

  公开（公告）日：2016-09-22

  Compounds of formula (I) and salts thereof: wherein R1, R2, R3, R4 are defined herein. Compounds of formula (I) and salts thereof have been found to inhibit the binding of the BET family of bromodomain proteins to, for example, acetylated lysine residues and thus may have use in therapy, for example in the treatment of autoimmune and inflammatory diseases, such as rheumatoid arthritis; and cancers.

  式（I）的化合物及其盐：其中R1、R2、R3、R4在此处定义。已发现式（I）的化合物及其盐能够抑制BET家族的溴结构域蛋白与例如乙酰化赖氨酸残基的结合，因此可能在治疗中发挥作用，例如在治疗自身免疫和炎症性疾病（如类风湿性关节炎）和癌症方面。
• COMPOUNDS USEFUL FOR INHIBITING CDK7
  申请人：Eli Lilly and Company

  公开号：US20190144456A1

  公开（公告）日：2019-05-16

  The present invention provides novel CDK7 inhibitors and pharmaceutical compositions thereof: or a pharmaceutically acceptable salt thereof.

  本发明提供了新型的CDK7抑制剂及其药物组合物：或其药物可接受的盐。
• Therapeutic pyrazolo[3,4-B]pyridines and indazoles
  申请人：Schelkun M. Robert

  公开号：US20060116376A1

  公开（公告）日：2006-06-01

  The present invention provides for compounds of Formula I: wherein R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, and L have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of central nervous disorders and conditions including attention deficit hyperactivity disorder, neuropathic pain, urinary incontinence, anxiety, depression, and schizophrenia and fibromyalgia. Also provided are pharmaceutical compositions comprising one or more compounds of Formula I.

  本发明提供了以下式I的化合物： 其中R2、R3、R4、R5、R6、R7、X和L具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗中枢神经系统紊乱和症状，包括注意力缺陷多动障碍、神经病性疼痛、尿失禁、焦虑、抑郁、精神分裂症和纤维肌痛中作为药剂是有用的。还提供了包含一个或多个式I化合物的药物组合物。
• Novel compounds
  申请人：Fish Vincent Paul

  公开号：US20050250775A1

  公开（公告）日：2005-11-10

  The present invention provides compounds of Formula I wherein R 1 , R 2 , R 3 , and n have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of conditions including urinary disorders, pain, premature ejaculation, ADHD and fibromyalgia. Also provided are pharmaceutical compositions comprising one or more compounds of Formula I.

  本发明提供了一种具有以下结构的化合物 其中R 1 ，R 2 ，R 3 和n具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物可用作治疗包括尿路障碍、疼痛、早泄、ADHD和纤维肌痛等疾病的药物。还提供了包含一种或多种Formula I化合物的药物组合物。
• OPTICALLY ACTIVE PYRROLIDINE COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20200239440A1

  公开（公告）日：2020-07-30

  The present invention provides: a methyl 1-2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl) pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl) phenyl}piperidine-4-carboxylate 1/2 ethane-1,2-disulfonic acid which is represented by formula (1) and is excellent in crystallinity; and a method for producing the same; and a production intermediate thereof; and a production method using this compound.

  本发明提供了一种由化学式（1）表示的甲基1-2-[(3S,4R)-1-[(3R,4R)-1-环戊基-3-氟-4-(4-甲氧基苯基)吡咯烷-3-羰基]-4-(甲氧甲基)吡咯烷-3-基]-5-(三氟甲基)苯基}哌啶-4-羧酸1/2乙烷-1,2-二磺酸，其结晶性优异；以及其制备方法；以及其制备中间体；以及使用该化合物的制备方法。

表征谱图