3-溴苯甲酸甲酯

  • 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
  • 表征图谱

3-溴苯甲酸甲酯 基本信息

中文名称:
3-溴苯甲酸甲酯 
中文别名:
3-溴苯甲酸甲酯;
甲基3-溴苯甲酸酯;
间溴苯甲酸甲酯 
英文名称:
Benzoicacid, 3-bromo-, methyl ester
英文别名:
Methyl 3-bromobenzoate;
3-MeO2CC6H4Br;
3-methoxycarbonyl-1-bromobenzene;
Methyl m-bromobenzoate;
Benzoic acid,3-bromo-,methyl ester;
m-bromobenzoic acid methyl ester;
(3-bromophenyl)acetic acid methyl ester;
3-Bromobenzoic acid,methyl ester;
methyl-3-bromobenzoate 
CAS No.:
618-89-3
分 子 式:
C8H7BrO2
分 子 量:
215.05
精确分子量:
213.96300
PSA:
26.30000
MDL:
MFCD00017777
EINECS:
210-569-9
BRN:
1940810
InChI:
InChI=1/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
危险品标志:
风险术语:
R36/37/38   
安全术语:
S26;S37/39
分子结构式:
SDS:
查看

3-溴苯甲酸甲酯 物化性质

外观与性状:
淡黄色晶体
密度:
1.498g/cm3
熔点:
31-33 °C(lit.)
沸点:
127-128 °C15 mm Hg(lit.)
闪点:
>230 °F
折射率:
1.5575
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

稳定性相关:

常温常压下稳定

避免光,明火,高温

避免氧化物

其它信息:

一、物性数据

1.     性状:淡黄色晶体。

2.     密度:未确定

3.     相对蒸汽密度(g/mL,空气=1):未确定

4.     熔点(ºC):31-34℃。

5.     沸点(ºC,常压):未确定

6.     沸点(ºC,5.2kPa): 139-140℃。

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,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:溶于乙醚、乙醇、乙酸乙酯

 

3-溴苯甲酸甲酯 安全信息

海关代码:
2916399090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S37/39-S26
危险标志:
Xi:Irritant;

3-溴苯甲酸甲酯 毒理性

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

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。

3-溴苯甲酸甲酯 MSDS

  Methyl 3-Bromobenzoate      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Methyl 3-Bromobenzoate    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statement
  Precautionary statements        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        Methyl 3-Bromobenzoate    
  Percent:        >99.0%(GC)    
  CAS Number:        618-89-3    
  Synonyms:        3-Bromobenzoic Acid Methyl Ester    
  Chemical Formula:        C8H7BrO2    

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.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. 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.
  Methyl 3-Bromobenzoate

Section 5. FIRE-FIGHTING MEASURES
  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
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  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
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    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
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    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    
  Color:        White - Pale yellow    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:30°C (Freezing point)
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Density:        No data available    
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Methyl 3-Bromobenzoate

Section 10. STABILITY AND REACTIVITY
  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    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  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    
    Not Listed
  UN-No:

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.
  Methyl 3-Bromobenzoate


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-溴苯甲酸甲酯 海关数据

中国海关编码:2916399090

概述:
2916399090 其他芳香一元羧酸. 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:30.0%
申报要素:
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-溴苯甲酸甲酯 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1   摩尔折射率:45.71

2   摩尔体积(m3/mol):143.5

3   等张比容(90.2K):362.6

4   表面张力(dyne/cm):40.7

5 极化率(10-24cm3):18.12

计算化学数据

1.疏水参数计算参考值(XlogP):无

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:147

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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