4’-氨基偶氮苯-4-磺酸

4’-氨基偶氮苯-4-磺酸 基本信息
CAS号 104-23-4 分子式 C12H10N3NaO3S
分子量 299.28100 精确质量  299.03400
PSA  116.32000 LogP  4.25030

基本信息 展开↓

CAS号:
104-23-4
3D弹球模型:
立即前往扯扯看
分子式:
C12H10N3NaO3S
分子量:
299.28100
中文名称:
4’-氨基偶氮苯-4-磺酸
英文名称:
4-((4-aminophenyl)diazenyl)benzenesulfonic acid
中文别名:
4’-氨基偶氮苯-4-磺酸;
对氨基偶氮苯基-4-磺酸;
对氨基偶氮苯对ˊ磺酸钠盐;
PAABSA;
4'-氨基偶氮苯-4-磺酸
英文别名:
4-((4-aminophenyl)diazenyl)benzenesulfonic acid;
4-[(4-aminophenyl)diazenyl]benzenesulfonic acid
精确分子量/精确质量:
299.03400
极性分子表面积/PSA:
116.32000
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:
203-187-9
InChI:
InChI=1/C12H11N3O3S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18/h1-8H,13H2,(H,16,17,18)

生产制备方法及用途展开↓

制备方法


用作染料中间体

用途简介


用途


用作染料中间体

物化性质展开↓

密度:
1.43 g/cm3
熔点:
125-131 °C
折射率:
1.663
存储条件/存储方法:

密封避光保存。

稳定性相关:

可燃;燃烧产生有毒氮氧化物和硫氧化物烟雾

其它信息:

1.性状:淡黄色针状结晶。

2.溶解性:能溶于水,几乎不溶于乙醇、乙醚和氯仿。

安全信息展开↓

海关代码:
2927000090
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25
危险标志:
Xi

合成路线查看所有的合成路线

  • 305-80-6

    重氮苯磺酸

  • +

  • 7732-18-5

  • +

  • 74497-02-2

    1-aminobenzene

  • 60-09-3

    对氨基偶氮苯

  • +

  • 622-37-7

    叠氮

  • +

  • 104-23-4

    4’-氨基偶氮苯-4-磺酸

  • +

  • 121-57-3

    对氨基苯磺酸

  • 305-80-6

    重氮苯磺酸

  • +

  • 7732-18-5

  • +

  • 142-04-1

    盐酸苯胺

  • 100-34-5

    氯化重氮苯

  • +

  • 104-23-4

    4’-氨基偶氮苯-4-磺酸

  • 305-80-6

    重氮苯磺酸

  • +

  • 74497-02-2

    1-aminobenzene

  • 622-37-7

    叠氮

  • +

  • 104-23-4

    4’-氨基偶氮苯-4-磺酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DB5010000
CHEMICAL NAME :
Benzenesulfonic acid, p-((p-aminophenyl)azo)-
CAS REGISTRY NUMBER :
104-23-4
BEILSTEIN REFERENCE NO. :
0753101
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H11-N3-O3-S
MOLECULAR WEIGHT :
277.32
WISWESSER LINE NOTATION :
ZR DNUNR DSWQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Kidney
DOSE/DURATION :
25 mg/L
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 38,34,1978

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      4’-Aminoazobenzene-4-sulphonic acid    
    Synonyms:

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

Section 3. Composition/information on ingredients.
    Ingredient name:        4’-Aminoazobenzene-4-sulphonic acid    
    CAS number:        104-23-4    

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, refrigerated.
    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:        C12H11N3O3S    
    Molecular weight:        277.3    

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:2927000090

概述:
2927000090 其他重氮化合物、偶氮化合物等(包括氧化偶氮化合物). 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:
2927000090 other diazo-, azo- or azoxy-compounds。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

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:2

3.氢键受体数量:6

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积114

7.重原子数量:19

8.表面电荷:0

9.复杂度:402

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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