2-溴吡啶-3-硼酸

2-溴吡啶-3-硼酸 基本信息
CAS号 452972-08-6 分子式 C5H5BBrNO2
分子量 201.81400 精确质量 　200.96000
PSA 　53.35000 LogP 　-0.47610
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 上下游

基本信息 展开↓

CAS号：
452972-08-6
3D弹球模型：
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分子式：
C5H5BBrNO2
分子量：
201.81400
中文名称：
2-溴吡啶-3-硼酸
英文名称：
(2-bromopyridin-3-yl)boronic acid
中文别名：
2-溴吡啶-3-硼酸;
2-溴砒啶-3-硼酸
英文别名：
(2-bromopyridin-3-yl)boronic acid;
2-Bromo-3-pyridineboronic acid;
2-Bromopyridine-3-boronic acid;
2-bromo-3-pyridylboronic acid;
2-bromo-3-pyridineboronic acid;
2-BROMOPYRIDINE-3-BORONIC ACID;
2-BROMOPYRIDIN-3-YL-3-BORONIC ACID;
2-bromopyridin-3-ylboronic acid
精确分子量/精确质量：
200.96000
极性分子表面积/PSA：
53.35000
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。
InChI：
InChI=1/C5H5BBrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H

物化性质展开↓

密度：
1.78 g/cm3
沸点：
374.3ºC at 760 mmHg
闪点：
180.2ºC
折射率：
1.602
存储条件/存储方法：

密闭，阴凉，干燥处

稳定性相关：

按规定使用和贮存不会分解

避氧化物

其它信息：

1.      性状：浅色之粉红色晶体粉末

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）：131-132

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）：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（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：不能溶解与水的

安全信息展开↓

海关代码：
2933399090
危险标志：
Xi:Irritant;

合成路线查看所有的合成路线

  • 13534-89-9

    2,3-二溴吡啶

  • →

    ~58%

  • 452972-08-6

    2-溴吡啶-3-硼酸

  • 109-04-6

    邻溴吡啶

  • →

    ~44%

  • 452972-08-6

    2-溴吡啶-3-硼酸

  • 19755-53-4

    2-溴-3-硝基吡啶

  • →

  • 452972-08-6

    2-溴吡啶-3-硼酸

毒理性展开↓

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。

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
  2-Bromopyridine-3-boronic acid
    Product Name:
    Synonyms:        2-Bromo-3-pyridineboronic acid; 2-Bromopyridin-3-ylboronic acid    
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing    
    P405:        Store locked up    
Section 3. Composition/information on ingredients.
    2-Bromopyridine-3-boronic acid
    Ingredient name:
    CAS number:        452972-08-6    
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.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:
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
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C5H5BBrNO2    
    Molecular weight:        201.8    
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, hydrogen bromide.
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：2933399090

概述：
2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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