5-氯-1,2-二溴-3-氟苯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

5-氯-1,2-二溴-3-氟苯 基本信息

中文名称:
5-氯-1,2-二溴-3-氟苯 
中文别名:
5-氯-1,2-二溴-3-氟苯;
5-氯-2,3-溴-1-氟苯 
英文名称:
Benzene,1,2-dibromo-5-chloro-3-fluoro-
英文别名:
1,2-dibromo-5-chloro-3-fluorobenzene;
1-chloro-3,4-dibromo-5-fluorobenzene;
1,2-dibromo-5-chloro-3-fluoro-benzene;
5-Chloro-1,2-dibromo-3-fluorobenzene;
5-chloro-1,2-dibromo-3-fluorobenzene;
5-chloro-2,3-dibromofluorobenzene;
5-Chloro-2,3-dibromo-1-fluorobenzene 
CAS No.:
208186-78-1
分 子 式:
C6H2Br2ClF
分 子 量:
288.34
精确分子量:
285.82000
PSA:
0.00000
MDL:
MFCD00143441
EINECS:
296-554-8
InChI:
InChI=1/C6H2Br2ClF/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
风险术语:
R36/38;
安全术语:
S26; S36;
分子结构式:
SDS:
查看

5-氯-1,2-二溴-3-氟苯 物化性质

密度:
2.089g/cm3
熔点:
37-39°C
沸点:
245.3ºC at 760 mmHg
闪点:
102.1ºC
折射率:
1.589
蒸汽压:
0.0454mmHg at 25°C
存储条件/存储方法:

保存方法:密闭,阴凉,燥处

稳定性相关:

避氧化物

其它信息:

1.     性状:未确定

2.     密度(g/mL):未确定3.     相对蒸汽密度(g/mL,空气=1)未确定4.     熔点(ºC):37-395.     沸点(ºC,常压):未确定6.     沸点(ºC16mmHg):未确定7.     折射率:未确定8.     闪点(ºC16mmHg):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

5-氯-1,2-二溴-3-氟苯 安全信息

危险类别码:
R36/38
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

5-氯-1,2-二溴-3-氟苯 毒理性

生态数据:

1、其它有害作用:对水稍有危害的,不要让未稀释或大量的产品接触地下水、水道或污水系统

5-氯-1,2-二溴-3-氟苯 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
  5-Chloro-2,3-dibromo-1-fluorobenzene
    Product Name:
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P362:        Take off contaminated clothing and wash before reuse    
    P321:        Specific treatment (see on this label)    
    P332+P313:        If skin irritation occurs: Get medical advice/attention    
    P337+P313:        If eye irritation persists get medical advice/attention    

Section 3. Composition/information on ingredients.
    5-Chloro-2,3-dibromo-1-fluorobenzene
    Ingredient name:
    CAS number:        208186-78-1    

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.    

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:        C6H2Br2ClF    
    Molecular weight:        288.3    

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

5-氯-1,2-二溴-3-氟苯 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):4

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:10

8.表面电荷:0

9.复杂度:122

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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