76371-66-9

76371-66-9结构式
76371-66-9结构式

化源商城直购

中文名 3-溴噻吩-2-羰基胺
英文名 5-Bromothiophene-2-carboxamide
中文别名 3-溴噻吩-2-甲酰胺
英文别名 5-Brom-thiophen-2-carbonsaeure-amid
MFCD00173835
2-Bromothiophene-5-carboxamide
5-Bromo-2-thiophenecarboxamide
5-bromothiophen-2-carboxamide
2-bromo-5-carbamoylthiophene
5-bromo-thiophene-2-carboxylic acid amide
密度 1.81g/cm3
沸点 304ºC at 760 mmHg
熔点 77-78ºC
分子式 C5H4BrNOS
分子量 206.06000
闪点 137.6ºC
精确质量 204.92000
PSA 71.33000
LogP 2.30980
外观性状 固体
折射率 1.645
储存条件

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。

稳定性

远离氧化物。

分子结构

1、 摩尔折射率:41.25

2、 摩尔体积(m3/mol):113.7

3、 等张比容(90.2K):315.3

4、 表面张力(dyne/cm):58.9

5、 极化率(10 -24cm 3):16.35

计算化学

1.疏水参数计算参考值(XlogP):1.8

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积71.3

7.重原子数量:9

8.表面电荷:0

9.复杂度:130

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

更多

1. 性状:奶油色或者白色粉末。

2. 密度(g/mL,25/4℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):106-108

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:未确定

8. 闪点(ºC):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:不能溶于水。

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 5-Bromothiophene-2-carboxamide
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:5-Bromothiophene-2-carboxamide
CAS number:76371-66-9

Section4. 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.

Section5. 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.

Section6. 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.

Section7. 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:

Section8. 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.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C5H4BrNOS
Molecular weight:206.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. 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.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. 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

生态学数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

符号 GHS07
GHS07
信号词 Warning
危害声明 H302-H317
警示性声明 P280
危害码 (欧洲) Xi
风险声明 (欧洲) 22-20/21/22
安全声明 (欧洲) 3/7-24/25-36/37-15
危险品运输编码 NONH for all modes of transport
海关编码 2934999090

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文献:GALAPAGOS N.V. Patent: WO2007/138072 A2, 2007 ; Location in patent: Page/Page column 48 ;

~90%

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文献:Wang, Gao; Yu, Qing-Ying; Chen, Shan-Yong; Yu, Xiao-Qi Organic and Biomolecular Chemistry, 2014 , vol. 12, # 3 p. 414 - 417

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文献:Recueil des Travaux Chimiques des Pays-Bas, , vol. 68, p. 5,29

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76371-66-9结构式

76371-66-9

文献:Bulletin de la Societe Chimique de France, , p. 4115 - 4120

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76371-66-9

文献:Recueil des Travaux Chimiques des Pays-Bas, , vol. 68, p. 5,29

~%

76371-66-9结构式

76371-66-9

文献:Bulletin de la Societe Chimique de France, , p. 4115 - 4120
海关编码 2934999090
中文概述 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
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%