2-乙酰基氨基苯硼酸频哪醇酯

2-乙酰基氨基苯硼酸频哪醇酯 基本信息
CAS号 480424-68-8 分子式 C14H19BO4
分子量 262.10900 精确质量  262.13800
PSA  44.76000 LogP  1.91110

基本信息 展开↓

CAS号:
480424-68-8
3D弹球模型:
立即前往扯扯看
分子式:
C14H19BO4
分子量:
262.10900
中文名称:
2-乙酰基氨基苯硼酸频哪醇酯
英文名称:
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
中文别名:
2-乙酰基氨基苯硼酸频哪醇酯;
醋酸-2-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯酯;
2-乙酰氧基苯硼酸频那醇酯;
2-乙酰氧基苯硼酸频哪醇酯
英文别名:
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate;
2-Acetoxyphenylboronic acid,pinacol ester;
2-Acetoxyphenylboronic acid pinacol ester;
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
精确分子量/精确质量:
262.13800
极性分子表面积/PSA:
44.76000
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。
贝尔斯坦号/MDL:
MFCD03453062
PubChem:
24880532
InChI:
The Key: KFBOKXXUJHAZIH-UHFFFAOYSA-N

物化性质展开↓

密度:
1.08g/cm3
熔点:
47-51ºC(lit.)
沸点:
358.9ºC at 760 mmHg
闪点:
>230 °F
折射率:
1.498
存储条件/存储方法:

干燥、阴凉、密闭处、惰性气体的环境中

稳定性相关:

按规定使用和贮存不会分解,避氧化物、水

其它信息:

1.      性状:无色固体

2.      密度(g/mL20 ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):47-51

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.35mmHg):未确定

7.      折射率:未确定

8.      闪点(ºC):110

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,):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

安全信息展开↓

海关代码:
2934999090
危险类别码:
40-51/53
安全说明:
61
安全标志:
S61:避免排放到环境中。参考专门的说明/安全数据表。

合成路线查看所有的合成路线

  • 122-79-2

    乙酸苯酯

  • +

  • 25015-63-8

    频哪醇硼烷

  • 480424-69-9

    3-乙酰氧基苯硼酸频哪醇酯

  • +

  • 480424-68-8

    2-乙酰基氨基苯硼酸频哪醇酯

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      2-Acetoxyphenylboronic acid, pinacol ester    
    Synonyms:

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

Section 3. Composition/information on ingredients.
    Ingredient name:        2-Acetoxyphenylboronic acid, pinacol ester    
    CAS number:        480424-68-8    

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:        C14H19BO4    
    Molecular weight:        262.1    

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

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: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%

分子结构与计算化学数据展开↓

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:4

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44.8

7.重原子数量:19

8.表面电荷:0

9.复杂度:337

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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