磺胺米隆

磺胺米隆 基本信息
CAS号 138-39-6 分子式 C7H10N2O2S
分子量 186.23100 精确质量  186.04600
PSA  94.56000 LogP  2.27410

基本信息 展开↓

CAS号:
138-39-6
3D弹球模型:
立即前往扯扯看
分子式:
C7H10N2O2S
分子量:
186.23100
中文名称:
磺胺米隆
英文名称:
4-Aminomethylbenzenesulfonamide
中文别名:
磺胺米隆;
磺胺苄胺;
磺胺灭脓;
4-氨甲基苯磺酰胺
英文别名:
4-Aminomethylbenzenesulfonamide;
4-(Aminomethyl)benzenesulfonamide
精确分子量/精确质量:
186.04600
极性分子表面积/PSA:
94.56000
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:
205-326-9
InChI:
The Key: TYMRLRRVMHJFTF-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


以乙酰苄胺为原料,经氯磺化、氨化、水解而得。先将乙酰苄胺于35℃加入氯磺酸中,保持55-60℃反应2h,将反应物加入冰水及氯仿中,分去水层,氯仿层为对乙酰苄胺基磺酰氯的氯仿溶液。将氯仿液于30℃滴入氯水中,室温反应2h,过滤得对乙酰苄胺磺酰胺。将其加入20%氢氧化钠溶液,于100-102℃回流5h,加水及活性炭脱色20min,过滤。滤液冷却结晶,过滤,滤饼加适量水溶解,50-60℃加盐酸至pH9.5-10,加活性炭回流20min,过滤,滤液冷却结晶,过滤得对氨甲苯磺酰胺。

合成制备方法


以乙酰苄胺为原料,经氯磺化、氨化、水解而得。先将乙酰苄胺于35℃加入氯磺酸中,保持55-60℃反应2h,将反应物加入冰水及氯仿中,分去水层,氯仿层为对乙酰苄胺基磺酰氯的氯仿溶液。将氯仿液于30℃滴入氯水中,室温反应2h,过滤得对乙酰苄胺磺酰胺。将其加入20%氢氧化钠溶液,于100-102℃回流5h,加水及活性炭脱色20min,过滤。滤液冷却结晶,过滤,滤饼加适量水溶解,50-60℃加盐酸至pH9.5-10,加活性炭回流20min,过滤,滤液冷却结晶,过滤得对氨甲苯磺酰胺。

用途简介


医药中间体。磺胺类药,用于绿脓杆菌及金黄色葡萄球菌感染。

用途


医药中间体。磺胺类药,用于绿脓杆菌及金黄色葡萄球菌感染。

物化性质展开↓

密度:
1.345g/cm3
沸点:
382ºC at 760mmHg
闪点:
184.8ºC
其它信息:

1.熔点(℃):151-152。

2.溶解性:溶于稀酸和稀碱。

安全信息展开↓

海关代码:
2935009090

合成路线查看所有的合成路线

  • 3119-02-6

    4-氰基苯磺酰胺

  • ~86%

  • 138-39-6

    磺胺米隆

  • 2522-79-4

    amino-(4-sulfamoyl-phenyl)-acetic acid

  • 138-39-6

    磺胺米隆

  • 588-46-5

    N-苄基乙酰胺

  • 138-39-6

    磺胺米隆

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      4-Aminomethylbenzenesulfonamide    
    Synonyms:

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

Section 3. Composition/information on ingredients.
    Ingredient name:        4-Aminomethylbenzenesulfonamide    
    CAS number:        138-39-6    

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:        C7H10N2O2S    
    Molecular weight:        186.2    

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:2935009090

概述:
2935009090 其他磺(酰)胺. 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:35.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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:47.43

2、  摩尔体积(cm3/mol):138.3

3、  等张比容(90.2K):138.3

4、  表面张力(dyne/cm):57.4

5、  极化率(10-24cm3):18.80

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:4

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94.6

7.重原子数量:12

8.表面电荷:0

9.复杂度:224

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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