1,2-乙二磺酸

1,2-乙二磺酸 基本信息
CAS号 110-04-3 分子式 C2H6O6S2
分子量 190.19500 精确质量  189.96100
PSA  125.50000 LogP  0.92360

基本信息 展开↓

CAS号:
110-04-3
3D弹球模型:
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分子式:
C2H6O6S2
分子量:
190.19500
中文名称:
1,2-乙二磺酸
英文名称:
1,2-Ethanedisulfonic Acid Dihydrate
中文别名:
1,2-乙二磺酸;
1,2-乙烷二磺酸二水合物
英文别名:
1,2-Ethanedisulfonic Acid Dihydrate;
ethane-1,2-disulfonic acid;
1,2-Ethanedisulfonic acid dihydrate;
1,2-Ethanedisulfonic acid
精确分子量/精确质量:
189.96100
极性分子表面积/PSA:
125.50000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00069901
EINECS:
203-732-0
InChI:
InChI=1/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)/p-2

生产制备方法及用途展开↓

制备方法


1,2-二氯乙烷与亚硫酸钠进行置换反应,生产乙烷二磺酸二钠盐。将钠盐溶于水,以2.5~3kg/h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,PH=3~1部分含有90%以上的乙烷二磺酸,减压浓缩去水呈糖浆状。100℃干燥,得成品。

合成制备方法


1,2-二氯乙烷与亚硫酸钠进行置换反应,生产乙烷二磺酸二钠盐。将钠盐溶于水,以2.5~3kg/h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,PH=3~1部分含有90%以上的乙烷二磺酸,减压浓缩去水呈糖浆状。100℃干燥,得成品。

用途简介


医药中间体。用于非麻醉性止咳药咳美芬的生产。

用途


医药中间体。用于非麻醉性止咳药咳美芬的生产。

物化性质展开↓

外观与性状:
灰白色至灰色-米色晶体和粉末
密度:
1.928g/cm3
熔点:
109 °C
水溶解性:
soluble
存储条件/存储方法:

 

稳定性相关:

具有腐蚀刺激性,皮肤接触会产生过敏反应,操作人员应穿戴防护用具。

其它信息:

1.  性状:针状晶体

2.  溶解性:溶于乙醇、乙醚。

安全信息展开↓

包装等级:
II
风险类别:
8
海关代码:
2904100000
危险类别码:
R34
安全说明:
S26-S36/37/39-S45-S27
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 1855-31-8

    1855-31-8

  • +

  • 7726-95-6

    溴素

  • 110-04-3

    1,2-乙二磺酸

  • +

  • 98-11-3

    苯磺酸

  • 2225-23-2

    1,2-乙二硫醇二甲苯磺酸盐

  • 1940-01-8

    1940-01-8

  • +

  • 536-57-2

    对甲苯亚磺酸

  • 31469-08-6

    1,2-Ethane-bis-sulfonyl chloride

  • +

  • 7732-18-5

  • 1184-84-5

    乙烯基磺酸

  • +

  • 110-04-3

    1,2-乙二磺酸

化学图谱

  1. 1,2-乙烷二磺酸质谱(MS)

  2. 1,2-乙烷二磺酸核磁图(13CNMR)

  3. 1,2-乙烷二磺酸核磁图(1HNMR)

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MSDS 展开↓


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

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.    

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.

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.

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

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.

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.

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.    

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.    

Section X.        Stability and Reactivity Data    

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.

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

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

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.

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2904100000

概述:
2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:32.00

2、   摩尔体积(cm3/mol):198.6

3、   等张比容(90.2K):311.5

4、   表面张力(dyne/cm):99.5

5、   极化率(10-24cm3):12.68

计算化学数据


1、   疏水参数计算参考值(XlogP):-2.2

2、   氢键供体数量:0

3、   氢键受体数量:6

4、   可旋转化学键数量:1

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):114

7、   重原子数量:10

8、   表面电荷:-2

9、   复杂度:212

10、 同位素原子数量:0

11、 确定原子立构中心数量:0

12、 不确定原子立构中心数量:0

13、 确定化学键立构中心数量:0

14、 不确定化学键立构中心数量:0

15、 共价键单元数量:1

上下游相关产品

上游产品

更多
  • 593-60-2

    溴乙烯

  • 31469-08-6

    1,2-Ethane-bis-sulfonyl chloride

  • 5325-43-9

    1,2-乙烷基二磺酸钠

  • 123-43-3

    磺基乙酸

  • 106-93-4

    二溴乙烷

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