3-乙烯基苯硼酸

3-乙烯基苯硼酸 基本信息
CAS号 15016-43-0 分子式 C8H9BO2
分子量 147.96700 精确质量 　148.07000
PSA 　40.46000 LogP 　0.00940
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目录
基本信息 物化性质 安全信息 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
15016-43-0
3D弹球模型：
立即前往扯扯看
分子式：
C8H9BO2
分子量：
147.96700
中文名称：
3-乙烯基苯硼酸
英文名称：
3-Vinylphenylboronic Acid
中文别名：
3-乙烯基苯硼酸;
3-乙烯苯硼酸
英文别名：
3-Vinylphenylboronic Acid;
(3-ethenylphenyl)boronic acid;
3-Vinylbenzeneboronic Acid;
(3-Vinylphenyl)boronic acid;
(3-Ethenylphenyl)boronic acid m-Vinylbenzeneboronic acid;
3-VINYLPHENYLBORONIC ACID
精确分子量/精确质量：
148.07000
极性分子表面积/PSA：
40.46000
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：
MFCD01074679
EINECS：
000-000-0
PubChem：
24885576
BRN：
3030426
InChI：
InChI=1/C8H9BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6,10-11H,1H2

物化性质展开↓

密度：
1.09g/cm3
熔点：
127-129°C
沸点：
320.2ºC at 760mmHg
闪点：
147.5ºC
折射率：
1.539
蒸汽压：
0.000134mmHg at 25°C
存储条件/存储方法：

2-8°C密闭、阴凉干燥处

稳定性相关：

常温常压下稳定

避免的物料： 氧化物

其它信息：

1. 性状：未确定

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）：127-129

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：未确定

安全信息展开↓

海关代码：
2931900090
危险类别码：
R36/37/38
安全说明：
S26-S36
危险标志：
Xi,Xn:Irritant;

毒理性展开↓

生态数据：

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。

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      3-Vinylphenylboronic acid    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H301:        Toxic if swallowed    
    P301+P310:        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician    
Section 3. Composition/information on ingredients.
    Ingredient name:        3-Vinylphenylboronic acid    
    CAS number:        15016-43-0    
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.    
    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, 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:        C8H9BO2    
    Molecular weight:        148.0    
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
    UN Number:        UN2811        Class: 6.1        Packing group: III    
    Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (3-Vinylphenylboronic acid)
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：2931900090

概述：
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary：
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

 

五、分子性质数据：

1、   摩尔折射率：42.31

2、   摩尔体积（m3/mol）：134.9

3、   等张比容（90.2K）：339.2

4、   表面张力（dyne/cm）：39.8

5、   极化率（10-24cm3）：16.77

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:2

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积40.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:136

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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