2-溴-4-氟苯乙酮

  • 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

2-溴-4-氟苯乙酮 基本信息

中文名称:
2-溴-4-氟苯乙酮 
中文别名:
2-溴-4-氟苯乙酮;
2'-溴-4'-氟苯乙酮 
英文名称:
2'-bromo-4'-fluoroacetophenone
英文别名:
2'-Bromo-4'-fluoroacetophenone;
2'-BROMO-4'-FLUOROACETOPHENONE;
1-(2-Bromo-4-fluorophenyl)ethanone;
1-(2-bromo-4-fluorophenyl)ethanone 
CAS No.:
1006-39-9
分 子 式:

C8H6BrFO

分 子 量:
217.03
精确分子量:
215.95900
PSA:
17.07000
MDL:
MFCD00077464
EINECS:
000-000-0
BRN:
2249797
InChI:
InChI=1/C8H6BrFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
危险品标志:

IrritantXi;

风险术语:

R36/38

安全术语:
S26;S36
分子结构式:
SDS:
查看

2-溴-4-氟苯乙酮 物化性质

密度:
1.535g/cm3
熔点:
48-50°C
沸点:
150°C 12mm
闪点:
110°C
折射率:
1.549
蒸汽压:
0.0138mmHg at 25°C
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方

稳定性相关:

 常温常压下稳定,避免氧化物接触

其它信息:

1.       性状:未确定

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):48-50

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,12mm):150

7.       折射率:1.549

8.       闪点(ºC):110

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

2-溴-4-氟苯乙酮 安全信息

海关代码:
2914700090
危险类别码:
R36/38
安全说明:
S26-S36
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。
:
危险标志:
Xi: Irritant;

2-溴-4-氟苯乙酮 毒理性

生态数据:

 通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

2-溴-4-氟苯乙酮 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
  1-Acetyl-2-bromo-4-fluorobenzene
    Product Name:
    Synonyms:        2’-Bromo-4’-fluoroacetophenone    

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.
    1-Acetyl-2-bromo-4-fluorobenzene
    Ingredient name:
    CAS number:        1006-39-9    

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:        C8H6BrFO    
    Molecular weight:        217.0    

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

2-溴-4-氟苯乙酮 海关数据

中国海关编码:2914700090

概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2-溴-4-氟苯乙酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:43.96

2、   摩尔体积m3/mol141.3      

3、   等张比容90.2K350.0

4、   表面张力dyne/cm37.6

5、   介电常数:不可用

6、   偶极距10-24cm3:不可用

7、   极化率:17.42

计算化学数据

1.疏水参数计算参考值(XlogP):2.4

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:2

6.拓扑分子极性表面积17.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:160

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

2-溴-4-氟苯乙酮 上游产品

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