2-苯基乙基-1-硼酸频哪醇酯

常用名 2-苯基乙基-1-硼酸频哪醇酯 英文名 4,4,5,5-tetramethyl-2-(2-phenylethyl)-1,3,2-dioxaborolane
CAS号 165904-22-3 分子量 232.12600
密度 0.97g/cm3 沸点 290.3ºC at 760 mmHg
分子式 C14H21BO2 熔点 N/A
MSDS2-苯基乙基-1-硼酸频哪醇酯的MSDS|SDS|pdf下载 N/A 闪点 129.4ºC

 2-苯基乙基-1-硼酸频哪醇酯名称

[ 中文名 ]: 2-苯基乙基-1-硼酸频哪醇酯
[ 英文名 ]: 4,4,5,5-tetramethyl-2-(2-phenylethyl)-1,3,2-dioxaborolane
[中文别名 ]: 2-苯基乙基-1-硼酸频哪酯
[英文别名 ]: MFCD03788721
4,4,5,5-tetramethyl-2-phenethyl-[1,3,2]dioxaborolane
2-(2-phenylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Phenylethylboronic acid pinacol ester
PhCH2CH2Bpin
2-Phenylethyl-1-boronic acid pinacol ester
4,4,5,5-tetramethyl-2-[2-phenylethyl]-1,3,2-dioxaborolane

 2-苯基乙基-1-硼酸频哪醇酯物理化学性质

[ 密度 ]: 0.97g/cm3
[ 沸点 ]: 290.3ºC at 760 mmHg
[ 分子式 ]: C14H21BO2
[ 分子量 ]: 232.12600
[ 闪点 ]: 129.4ºC
[ 精确质量 ]: 232.16300
[ PSA ]: 18.46000
[ LogP ]: 3.32130
[ 蒸汽压 ]: 0.00363mmHg at 25°C
[ 折射率 ]: 1.486
[ 储存条件 ]:

保存方法:密闭,阴凉,干燥处

[ 稳定性 ]:

避氧化物

[ 计算化学 ]:

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:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:241

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:无色液体

2. 密度(g/mL, 20 ℃ ):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,常压):未确定

6. 沸点(ºC 28mmHg):未确定

7. 折射率:1.4460

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:未确定

 2-苯基乙基-1-硼酸频哪醇酯MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 2-Phenylethylboronic acid, pinacol ester
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:2-Phenylethylboronic acid, pinacol ester
CAS number:165904-22-3

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, under −20◦C.
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:C14H21BO2
Molecular weight:232.1

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

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

 2-苯基乙基-1-硼酸频哪醇酯毒性和生态

2-苯基乙基-1-硼酸频哪醇酯生态学数据:

1、其它有害作用:通常对水稍微危害的,若无政府许可,勿将材料排入周围环境。

 2-苯基乙基-1-硼酸频哪醇酯安全信息

[ 安全声明 (欧洲) ]: S24/25
[ 海关编码 ]: 2934999090

 2-苯基乙基-1-硼酸频哪醇酯合成线路

~97%

文献:Cano, Rafael; Ramon, Diego J.; Yus, Miguel Journal of Organic Chemistry, 2010 , vol. 75, # 10 p. 3458 - 3460

~0%

文献:Roseblade, Stephenj.; Casas-Arce, Eva; Nettekoven, Ulrike; Gazic Smilovic, Ivana; Zanotti-Gerosa, Antonio; Casar, Zdenko Synthesis (Germany), 2013 , vol. 45, # 20 art. no. SS-2013-Z0439-PSP, p. 2824 - 2831

~96%

文献:Crudden, Cathleen M.; Hleba, Yonek B.; Chen, Austin C. Journal of the American Chemical Society, 2004 , vol. 126, # 30 p. 9200 - 9201

~59%

文献:Gong, Tian-Jun; Jiang, Yuan-Ye; Fu, Yao Chinese Chemical Letters, 2014 , vol. 25, # 3 p. 397 - 400

~79%

文献:Yang, Chu-Ting; Zhang, Zhen-Qi; Tajuddin, Hazmi; Wu, Chen-Cheng; Liang, Jun; Liu, Jing-Hui; Fu, Yao; Czyzewska, Maria; Steel, Patrick G.; Marder, Todd B.; Liu, Lei Angewandte Chemie - International Edition, 2012 , vol. 51, # 2 p. 528 - 532

~73%

文献:Kalinin, Alexey V.; Scherer, Stefan; Snieckus, Victor Angewandte Chemie - International Edition, 2003 , vol. 42, # 29 p. 3399 - 3404

~93%

文献:Hesse, Matthew J.; Butts, Craig P.; Willis, Christine L.; Aggarwal, Varinder K. Angewandte Chemie - International Edition, 2012 , vol. 51, # 50 p. 12444 - 12448 Angew. Chem., 2012 , vol. 124, # 50 p. 12612 - 12616,5

~1%

文献:Angewandte Chemie, International Edition, , vol. 48, # 33 p. 6062 - 6064 Angewandte Chemie, , vol. 121, # 33 p. 6178 - 6180

~71%

详细
文献:Organic Letters, , vol. 15, # 11 p. 2680 - 2683

~93%

文献:Endo, Kohei; Ohkubo, Takahiro; Ishioka, Takafumi; Shibata, Takanori Journal of Organic Chemistry, 2012 , vol. 77, # 10 p. 4826 - 4831

~74%

文献:Yamamoto, Eiji; Izumi, Kiyotaka; Horita, Yuko; Ito, Hajime Journal of the American Chemical Society, 2012 , vol. 134, # 49 p. 19997 - 20000

~3%

详细
文献:Bulletin of the Chemical Society of Japan, , vol. 75, # 4 p. 825 - 829

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Journal of Molecular Catalysis A: Chemical, , vol. 275, # 1-2 p. 91 - 100

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~51%

详细
文献:Angewandte Chemie - International Edition, , vol. 52, # 13 p. 3676 - 3680 Angew. Chem., , vol. 52, # 13 p. 3676 - 3680,5

~14%

文献:Chemistry Letters, , # 11 p. 1082 - 1083

~%

文献:Journal of the American Chemical Society, , vol. 129, # 11 p. 3068 - 3069

~50%

文献:Bulletin of the Chemical Society of Japan, , vol. 75, # 4 p. 825 - 829

~%

文献:Blakemore, Paul R.; Burge, Matthew S. Journal of the American Chemical Society, 2007 , vol. 129, # 11 p. 3068 - 3069

~1%

详细
文献:Bulletin of the Chemical Society of Japan, , vol. 75, # 4 p. 825 - 829

~60%

详细
文献:Tetrahedron, , vol. 60, # 47 p. 10695 - 10700

~48%

文献:Angewandte Chemie - International Edition, , vol. 53, # 10 p. 2696 - 2700 Angew. Chem., , vol. 126, # 10 p. 2734 - 2738,5

~%

详细
文献:Dalton Transactions, , # 8 p. 1055 - 1064

~5%

文献:Chemistry Letters, , # 11 p. 1082 - 1083

~%

详细
文献:Angewandte Chemie - International Edition, , vol. 53, # 7 p. 1799 - 1803 Angew. Chem., , vol. 126, # 7 p. 1829 - 1834

~55%

详细
文献:ChemCatChem, , vol. 6, # 3 p. 763 - 766

~%

文献:Journal of Organometallic Chemistry, , vol. 690, # 23 p. 5198 - 5205

~%

文献:Tetrahedron, , vol. 70, # 16 p. 2654 - 2660

~9%

详细
文献:Bulletin of the Chemical Society of Japan, , vol. 75, # 4 p. 825 - 829

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Chemistry - A European Journal, , vol. 13, # 9 p. 2614 - 2621

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angewandte Chemie - International Edition, , vol. 51, # 4 p. 1014 - 1018

~%

文献:Angew. Chem., , vol. 51, p. 1014 - 1018 Angewandte Chemie, , vol. 124, p. 1038 - 1042

~%

详细
文献:Journal of the American Chemical Society, , vol. 126, # 30 p. 9200 - 9201

~%

详细
文献:Dalton Transactions, , # 8 p. 1055 - 1064

~%

详细
文献:Synlett, , # 3 p. 477 - 481

 2-苯基乙基-1-硼酸频哪醇酯海关

[ 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%