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55406-13-8生产厂家

55406-13-8价格

相关CAS号：
55406-13-8 885692-91-1
104163-35-1 942070-28-2
63826-56-2 76655-99-7
81452-54-2 1159877-58-3
2201050-63-5 1353987-25-3

55406-13-8

55406-13-8结构式
55406-13-8结构式

化源商城直购

中文名 3-甲基噻吩-2-甲腈
英文名 3-Methylthiophene-2-Carbonitrile
中文别名 3-甲基噻吩-2-腈
英文别名 2-Thiophenecarbonitrile, 3-methyl-
MFCD00052086
3-Methyl-2-thiophenecarbonitrile
3-Methylthiophene-2-carbonitrile
密度 1.2±0.1 g/cm3
沸点 212.7±20.0 °C at 760 mmHg
分子式 C6H5NS
分子量 123.176
闪点 82.4±21.8 °C
精确质量 123.014267
PSA 52.03000
LogP 1.73
蒸汽压 0.2±0.4 mmHg at 25°C
折射率 1.557
储存条件

保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

稳定性

如果遵照规格使用和储存则不会分解，未有已知危险反应

计算化学

1.疏水参数计算参考值（XlogP）:2

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积52

7.重原子数量:8

8.表面电荷:0

9.复杂度:124

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：液体

2. 密度（g/mL,25ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）： 未确定

4. 熔点（ºC）：未确定

5. 沸点（ºC）：未确定

6. 沸点（ºC，12mm hg）：91-93

7. 折射率：1.5530

8. 闪点（°C）：91-93°C/12mm

9. 比旋光度（ºC）：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：未确定

Material Safety Data Sheet
Section1. Identification of the substance
Product Name: 3-Methylthiophene-2-carbonitrile
Synonyms:2-Cyano-3-methylthiophene
Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301:Toxic if swallowed
H312:Harmful in contact with skin
H332:Harmful if inhaled
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P280:Wear protective gloves/protective clothing/eye protection/face protection
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up
Section3. Composition/information on ingredients.
Ingredient name:3-Methylthiophene-2-carbonitrile
CAS number:55406-13-8
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.
Storage:Store in closed vessels.
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
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C6H5NS
Molecular weight:123.2
Section10. 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.
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
UN Number:UN3276 Class: 6.1 Packing group: III
Proper shipping name: NITRILES, TOXIC, LIQUID, N.O.S. (3-Methylthiophene-2-carbonitrile)
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:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

危害码 (欧洲) Xi
风险声明 (欧洲) R20/21/22
安全声明 (欧洲) S36/37/39
危险品运输编码 3276
包装等级 III
危险类别 6.1
海关编码 2934999090
616-44-4结构式

616-44-4
7677-24-9结构式

7677-24-9

~80%

55406-13-8结构式

55406-13-8
文献：Dohi, Toshifumi; Morimoto, Koji; Takenaga, Naoko; Maruyama, Akinobu; Kita, Yasuyuki Chemical and Pharmaceutical Bulletin, 2006 , vol. 54, # 11 p. 1608 - 1610
14345-97-2结构式

14345-97-2
557-21-1结构式

557-21-1

~86%

55406-13-8结构式

55406-13-8
文献：Littke, Adam; Soumeillant, Maxime; Kaltenbach III, Robert F.; Cherney, Robert J.; Tarby, Christine M.; Kiau, Susanne Organic Letters, 2007 , vol. 9, # 9 p. 1711 - 1714
41056-90-0结构式

41056-90-0

~86%

55406-13-8结构式

55406-13-8
文献：Rai, Ankita; Yadav, Lal Dhar S. European Journal of Organic Chemistry, 2013 , # 10 p. 1889 - 1893
14282-76-9结构式

14282-76-9
557-21-1结构式

557-21-1

~86%

55406-13-8结构式

55406-13-8
文献：Yu, Hannah; Richey, Rachel N.; Miller, William D.; Xu, Jiansheng; May, Scott A. Journal of Organic Chemistry, 2011 , vol. 76, # 2 p. 665 - 668
76655-99-7结构式

76655-99-7

~75%

55406-13-8结构式

55406-13-8
文献：Rai, Ankita; Yadav, Lal Dhar S. European Journal of Organic Chemistry, 2013 , # 10 p. 1889 - 1893
5834-16-2结构式

5834-16-2

~58%

55406-13-8结构式

55406-13-8
文献：Takeda Chemical Industries, Ltd. Patent: EP1270577 A1, 2003 ;
23806-24-8结构式

23806-24-8
931-97-5结构式

931-97-5

~53%

55406-13-8结构式

55406-13-8
文献：Ouchaou, Kahina; Georgin, Dominique; Taran, Frederic Synlett, 2010 , # 14 art. no. G18110ST, p. 2083 - 2086
616-44-4结构式

616-44-4

~%

55406-13-8结构式

55406-13-8
文献：WO2012/116452 A1, ; WO 2012/116452 A1
23806-24-8结构式

23806-24-8

~%

55406-13-8结构式

55406-13-8
文献：Canadian Journal of Chemistry, , vol. 91, # 8 p. 679 - 683
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%

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