4-氰基吡啶-3-硼酸频哪醇酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4-氰基吡啶-3-硼酸频哪醇酯 基本信息

中文名称:
4-氰基吡啶-3-硼酸频哪醇酯 
中文别名:
4-氰基吡啶-3-硼酸频哪醇酯;
4-氰基吡啶-3-硼酸频那醇酯;
4-氰基-3-(4,4,5,5-四甲基-[1,3,2]二氧硼戊环-2-基)吡啶;
4-氰基吡啶-5-硼酸频哪醇酯 
英文名称:
4-Pyridinecarbonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
英文别名:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinonitrile;
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile 
CAS No.:
878194-91-3
分 子 式:

C12H15BN2O2

分 子 量:
230.07
精确分子量:
230.12300
PSA:
55.14000
MDL:
MFCD08458478
InChI:
The Key: DQQFRFWEPQBNEN-UHFFFAOYSA-N
危险品标志:

 

风险术语:

 

安全术语:
分子结构式:
SDS:
查看

4-氰基吡啶-3-硼酸频哪醇酯 物化性质

密度:
1.1g/cm3
沸点:
365.5ºC at 760 mmHg
闪点:
174.9ºC
折射率:
1.506
存储条件/存储方法:

密闭,阴凉,干燥处

稳定性相关:

按规定使用和贮存的不会分解,避光氧化物

其它信息:

1.      性状:  粉红色粉末

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):79-85

5.      沸点(ºC,常压):未确定

6.      沸点(º18.6mmHg):未确定

7.      折射率:未确定

8.      闪点(º F):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,):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(正辛醇/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

4-氰基吡啶-3-硼酸频哪醇酯 安全信息

海关代码:
2934999090

4-氰基吡啶-3-硼酸频哪醇酯 毒理性

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

4-氰基吡啶-3-硼酸频哪醇酯 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      4-Cyanopyridine-3-boronic acid pinacol ester    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H301:        Toxic if swallowed    
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    Avoid breathing dust/fume/gas/mist/vapours/spray
    P261:
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P301+P310:        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    Ingredient name:        4-Cyanopyridine-3-boronic acid pinacol ester    
    CAS number:        878194-91-3    

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.
    Storage:        Store in closed vessels, refrigerated.    

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    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C12H15BN2O2    
    Molecular weight:        230.1    

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

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

4-氰基吡啶-3-硼酸频哪醇酯 海关数据

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%

4-氰基吡啶-3-硼酸频哪醇酯 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:61.82

2、   摩尔体积(m3/mol):207.8

3、   等张比容(90.2K):525.0

4、   表面张力(dyne/cm):40.7

5、   极化率10-24cm3):24.50

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积55.1

7.重原子数量:17

8.表面电荷:0

9.复杂度:332

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

4-氰基吡啶-3-硼酸频哪醇酯 上游产品

4-氰基吡啶-3-硼酸频哪醇酯 下游产品

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产品名称:4-氰基吡啶-3-硼酸频哪醇酯 260875 Cas号:878194-91-3 纯度:96% 包装信息:5g,1g,250mg,50mg 价格:洽谈
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