5-溴-2-吡啶羧酸

5-溴-2-吡啶羧酸 基本信息
CAS号 30766-11-1 分子式 C6H4BrNO2
分子量 202.00500 精确质量  200.94300
PSA  50.19000 LogP  1.54230

基本信息 展开↓

CAS号:
30766-11-1
3D弹球模型:
立即前往扯扯看
分子式:
C6H4BrNO2
分子量:
202.00500
中文名称:
5-溴-2-吡啶羧酸
英文名称:
5-Bromopyridine-2-carboxylic acid
中文别名:
5-溴-2-吡啶羧酸;
2-羧基-5-溴吡啶;
5-溴吡啶-2-羧酸;
2-羧酸-5-溴吡啶;
5-溴吡啶甲酸;
5-溴-2-吡啶甲酸
英文别名:
5-Bromopyridine-2-carboxylic acid;
5-bromo-picolinic acid;
5-Bromopicolinic Acid;
5-Brom-pyridin-2-carbonsaeure;
5-Bromo-pyridine-2-carboxylic acid;
5-bromo-2-pyridinecarboxylic acid;
5-bromo-2-carboxypyridine;
5-bromo-2-picolinic acid;
5-BroMo-2-pyridinecarboxylic Acid;
5-Bromopyridine-2-carboxylic Acid
精确分子量/精确质量:
200.94300
极性分子表面积/PSA:
50.19000
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。
EINECS:
-0
InChI:
InChI=1/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)/p-1

生产制备方法及用途展开↓

制备方法


化学试剂、有机中间体、精细化学品、药物研发。

用途简介


物化性质展开↓

外观与性状:
白色结晶
密度:
1.813 g/cm3
熔点:
173-175°C
沸点:
319.5ºC at 760mmHg
闪点:
147ºC
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物

其它信息:

1.         性状:粉末

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):173-175

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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:
2933399090
危险类别码:
R36/37/38
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 845306-08-3

    5-溴吡啶甲酸叔丁酯

  • ~93%

  • 30766-11-1

    5-溴-2-吡啶羧酸

  • 624-28-2

    2,5-二溴吡啶

  • +

  • 124-38-9

    二氧化碳

  • ~65%

  • 30766-11-1

    5-溴-2-吡啶羧酸

  • 97483-77-7

    5-溴-2-氰基吡啶

  • ~63%

  • 30766-11-1

    5-溴-2-吡啶羧酸

化学图谱

  1. 5-溴吡啶羧酸红外图谱(IR1)

  2. 5-溴吡啶羧酸红外图谱(IR2)

  3. 5-溴吡啶羧酸质谱(MS)

上一页 1/4 下一页

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

  5-Bromopicolinic Acid      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        5-Bromopicolinic Acid    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statement        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements
  [Prevention]        Wash hands thoroughly after handling.    
    Wear protective gloves/eye protection/face protection.
  [Response]        IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,    
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        5-Bromopicolinic Acid    
  Percent:        >97.0%(GC)(T)    
  CAS Number:        30766-11-1    
  Synonyms:        5-Bromo-2-pyridinecarboxylic Acid    
  Chemical Formula:        C6H4BrNO2    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  5-Bromopicolinic Acid

Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        crystal - powder    
  Color:        White - Slightly pale reddish yellow    
  Odor:        No data available    
  pH: No data available
  5-Bromopicolinic Acid

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Melting point/freezing point:176 °C
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
    No data available
  Upper:
  Density:        No data available    
    Soluble in : Methanol
  Solubility:

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen bromide
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not Listed    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.
  5-Bromopicolinic Acid


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%

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):1.4

2.氢键供体数量:1

3.氢键受体数量:3

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50.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:140

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

上下游相关产品

上游产品

更多
  • 624-28-2

    2,5-二溴吡啶

  • 124-38-9

    二氧化碳

  • 97483-77-7

    5-溴-2-氰基吡啶

  • 31181-90-5

    5-溴-2-吡啶甲醛

  • 845306-08-3

    5-溴吡啶甲酸叔丁酯

下游产品

更多
  • 436799-32-5

    5-溴-2-三氟甲基吡啶

  • 90145-48-5

    5-溴吡啶甲酰胺

  • 957063-06-8

    5-溴-2-吗啉羰基吡啶

  • 845306-08-3

    5-溴吡啶甲酸叔丁酯

  • 845305-88-6

    5-溴-N-乙基吡啶-2-甲酰胺

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便