4-溴-2-呋喃甲醛

4-溴-2-呋喃甲醛 基本信息
CAS号 21921-76-6 分子式 C5H3BrO2
分子量 174.98000 精确质量  173.93200
PSA  30.21000 LogP  1.85460

基本信息 展开↓

CAS号:
21921-76-6
3D弹球模型:
立即前往扯扯看
分子式:
C5H3BrO2
分子量:
174.98000
中文名称:
4-溴-2-呋喃甲醛
英文名称:
4-bromofuran-2-carbaldehyde
中文别名:
4-溴-2-呋喃甲醛;
4-溴糠醛;
4-溴-2-糠醛
英文别名:
4-bromofuran-2-carbaldehyde;
4-bromofuran-2-carboxaldehyde;
4-BroMo-2-furaldehyde;
4-Bromo-2-formylfuran;
4-Bromofurfural;
4-bromo-2-furancarboxyaldehyde;
4-Bromo-2-furaldehyde;
4-Bromo-furan-2-carbaldehyde;
4-bromo-2-furancarbaldehyde
精确分子量/精确质量:
173.93200
极性分子表面积/PSA:
30.21000
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:
MFCD00671504
PubChem:
24884809
InChI:
InChI=1/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H

生产制备方法及用途展开↓

合成制备方法



用途



物化性质展开↓

密度:
1.748g/cm3
熔点:
54-58 °C
沸点:
225ºC at 760mmHg
闪点:
>230 °F
折射率:
1.573
蒸汽压:
0.0883mmHg at 25°C
存储条件/存储方法:

冰冻

稳定性相关:


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):54-58

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):>230

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:
2932190090
危险类别码:
R22;R36/37/38;R43
安全说明:
S26-S28-S36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后,立即使用大量皂液洗涤。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 2433-85-4

    4,5-二溴-2-呋喃甲醛

  • ~95%

  • 21921-76-6

    4-溴-2-呋喃甲醛

  • 27065-51-6

    4-Bromo-2-(diethoxymethyl)fur

  • ~85%

  • 21921-76-6

    4-溴-2-呋喃甲醛

  • 98-01-1

    糠醛

  • ~44%

  • 1899-24-7

    5-溴-2-呋喃甲醛

  • +

  • 2433-85-4

    4,5-二溴-2-呋喃甲醛

毒理性展开↓

毒理学数据:


生态数据:


MSDS 展开↓

  4-Bromo-2-furaldehyde      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        4-Bromo-2-furaldehyde    

  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):        4-Bromo-2-furaldehyde    
  Percent:        >95.0%(GC)    
  CAS Number:        21921-76-6    
  Synonyms:        4-Bromofurfural    
  Chemical Formula:        C5H3BrO2    

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.
  4-Bromo-2-furaldehyde

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 refrigerator.
  Storage conditions:
    Store under inert gas.
    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
    Solid
  Physical state (20°C):
  Form:        crystal - powder    
  Color:        White - Pale yellow    
  Odor:        No data available    
  4-Bromo-2-furaldehyde

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  pH: No data available
  Melting point/freezing point:55 °C
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Density:
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Conditions to avoid:        Heat-sensitive, Air-sensitive    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, 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.
  4-Bromo-2-furaldehyde


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932190090

概述:
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 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:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:32.99

2、   摩尔体积(cm3/mol)100.0

3、   等张比容(90.2K)256.8

4、   表面张力(dyne/cm)43.3

5、   极化率(10-24cm3)13.08

 

计算化学数据


1.疏水参数计算参考值(XlogP):1.5

2.氢键供体数量:0

3.氢键受体数量:2

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30.2

7.重原子数量:8

8.表面电荷:0

9.复杂度:94.4

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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