苯胺-2,4-二磺酸

苯胺-2,4-二磺酸 基本信息
CAS号 137-51-9 分子式 C6H7NO6S2
分子量 253.25300 精确质量  252.97100
PSA  151.52000 LogP  2.50500

基本信息 展开↓

CAS号:
137-51-9
3D弹球模型:
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分子式:
C6H7NO6S2
分子量:
253.25300
中文名称:
苯胺-2,4-二磺酸
英文名称:
4-Aminobenzene-1,3-disulfonic acid
中文别名:
苯胺-2,4-二磺酸;
2,4-二磺酸苯胺;
4-氨基-1,3-苯二磺酸
英文别名:
4-Aminobenzene-1,3-disulfonic acid;
4-aminobenzene-1,3-disulfonic acid
精确分子量/精确质量:
252.97100
极性分子表面积/PSA:
151.52000
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。
EINECS:
205-299-3
InChI:
InChI=1/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)

生产制备方法及用途展开↓

制备方法


由对氨基苯磺酸经发烟硫酸磺化而得。磺化锅内放入20%发烟硫酸,在搅拌下缓缓加入干燥的对氨基苯磺酸,加料时温度控制50℃,加料后搅拌20min,然后升温至60℃,保温1h,再升至80℃保温1h,再升至100℃,保温1h,最后升至128℃,保温5h,取样检定(取样品2ml,稀释于40ml蒸馏水中,振荡使之全溶,以得澄清溶液为准)。再在128℃搅拌3h,然后降温至75℃放料,收率98%

合成制备方法


由对氨基苯磺酸经发烟硫酸磺化而得。磺化锅内放入20%发烟硫酸,在搅拌下缓缓加入干燥的对氨基苯磺酸,加料时温度控制50,加料后搅拌20min,然后升温至60,保温1h,再升至80保温1h,再升至100,保温1h,最后升至128,保温5h,取样检定(取样品2ml,稀释于40ml蒸馏水中,振荡使之全溶,以得澄清溶液为准)。再在128搅拌3h,然后降温至75放料,收率98%

用途简介


可作染料中间体

用途


可作染料中间体

物化性质展开↓

外观与性状:
白色粉末
密度:
1.844 g/cm3
折射率:
1.666

安全信息展开↓

包装等级:
III
风险类别:
6.1
海关代码:
2921499090
危险类别码:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
安全说明:
S26-S37/39
危险标志:
Xn

合成路线查看所有的合成路线

  • 23133-97-3

    4-bromo-benzene-1,3-disulfonic acid

  • +

  • 7664-41-7

    液氨

  • 137-51-9

    苯胺-2,4-二磺酸

  • 88-21-1

    2-氨基苯磺酸

  • +

  • 7664-93-9

    硫酸

  • 137-51-9

    苯胺-2,4-二磺酸

  • 7664-93-9

    硫酸

  • +

  • 103-84-4

    乙酰苯胺

  • 54322-33-7

    methanetrisulfonic acid

  • +

  • 137-51-9

    苯胺-2,4-二磺酸

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Aniline-2,4-disulfonic acid    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Aniline-2,4-disulfonic acid    
    CAS number:        137-51-9    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C6H7NO6S2    
    Molecular weight:        253.3    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921499090

概述:
2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


 

分子性质数据:

1   摩尔折射率51.06

2   摩尔体积m3/mol):137.2

3   等张比容90.2K):423.1

4   表面张力3.0 dyne/cm):90.2

5   极化率0.5 10-24cm3):20.24

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:3

3.氢键受体数量:7

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积152

7.重原子数量:15

8.表面电荷:0

9.复杂度:416

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

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