3-溴甲基噻吩

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-溴甲基噻吩 基本信息

中文名称:
3-溴甲基噻吩 
中文别名:
3-溴甲基噻吩;
3-(溴甲基)噻吩;
3-甲基溴噻吩 
英文名称:
Thiophene,3-(bromomethyl)-
英文别名:
3-(bromomethyl)thiophene;
thien-3-ylmethyl bromide;
3-Thienylmethyl bromide;
3-Bromomethyl-thiophene;
thiophen-3-ylmethyl bromide 
CAS No.:
34846-44-1
分 子 式:
C5H5BrS
分 子 量:
177.06
精确分子量:
175.93000
PSA:
28.24000
EINECS:
252-247-0
InChI:
InChI=1/C5H5BrS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
风险术语:
20/21/22-36/37/38
分子结构式:
SDS:
查看

3-溴甲基噻吩 制备方法及用途

制备方法

在搪玻璃溴化釜内投入苯、3-甲基噻吩和一半的过氧化苯甲酰,开启搅拌及蒸汽加热系统,慢慢升温至回流,然后分批加入N-溴代丁二酰亚胺和另一半的过氧化苯甲酰,约加45~60min。加毕,继续回流直到反应达终点(混合物发泡减慢)。反应结束后,冷却,使副产物丁二酰亚胺从苯中析出,并过滤以回收丁二酰亚胺。滤液转移至蒸馏釜,先减压回收苯,再高真空下蒸馏产品,接收0.133kPa下75~78℃的馏分,即得该产品。收率大于75%。

合成制备方法

在搪玻璃溴化釜内投入苯、3-甲基噻吩和一半的过氧化苯甲酰,开启搅拌及蒸汽加热系统,慢慢升温至回流,然后分批加入N-溴代丁二酰亚胺和另一半的过氧化苯甲酰,约加45~60min。加毕,继续回流直到反应达终点(混合物发泡减慢)。反应结束后,冷却,使副产物丁二酰亚胺从苯中析出,并过滤以回收丁二酰亚胺。滤液转移至蒸馏釜,先减压回收苯,再高真空下蒸馏产品,接收0.133kPa下75~78℃的馏分,即得该产品。收率大于75%。

用途简介

主要用于制备3-噻吩甲醛、3-噻吩乙腈和3-噻吩丙二酸等。

用途

主要用于制备3-噻吩甲醛、3-噻吩乙腈和3-噻吩丙二酸等。

3-溴甲基噻吩 物化性质

密度:
1.633 g/cm3
沸点:
197.6ºC at 760 mmHg
闪点:
73.3ºC
折射率:
1.603
其它信息:

1性状:水白色结晶。

2沸点:82~84℃/0.4kPa,79~81℃/0.267kPa,75~77℃/0.133kPa。

3折射率:1.6030。

4溶解性:可溶于苯。

3-溴甲基噻吩 安全信息

海关代码:
2934999090
危险标志:
Xi

3-溴甲基噻吩 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
  3-Bromomethylthiophene
    Product Name:
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing    
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    3-Bromomethylthiophene
    Ingredient name:
    CAS number:        34846-44-1    

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:

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, under −20◦C.
    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
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C5H5BrS    
    Molecular weight:        177.1    

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

3-溴甲基噻吩 海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-溴甲基噻吩 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:37.28

2、  摩尔体积(cm3/mol):108.4

3、  等张比容(90.2K):279.3

4、  表面张力(dyne/cm):44.1

5、  极化率(10-24cm3):14.78

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:0

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积28.2

7.重原子数量:7

8.表面电荷:0

9.复杂度:56

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

3-溴甲基噻吩 上游产品

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