4-溴-2,6-二氯酚

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4-溴-2,6-二氯酚 基本信息

中文名称:
4-溴-2,6-二氯酚 
中文别名:
4-溴-2,6-二氯酚;
2,6-二氯对溴苯酚;
4-溴-2,6-二氯苯酚2,6-二氯对溴苯酚;
4-溴-2,6-二氯苯酚 
英文名称:
Phenol,4-bromo-2,6-dichloro-
英文别名:
4-bromo-2,6-dichlorophenol;
4-Brom-2,6-dichlor-phenol;
4-bromo-1,6-dichlorophenol;
2.6-Dichlor-4-brom-1-hydroxy-benzol;
2,6-Dichloro-4-bromophenol;
4-Bromo-2,6-dichlorophenol;
4-Bromo-2.6-dichlorophenol;
4-Bromo-2.6-Dichlorophenol 
CAS No.:
3217-15-0
分 子 式:
C6H3BrCl2O
分 子 量:
241.90
精确分子量:
239.87400
PSA:
20.23000
EINECS:
221-740-2
InChI:
InChI=1/C8H6N4O2/c13-8(14)6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,(H,13,14)
分子结构式:
SDS:
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4-溴-2,6-二氯酚 制备方法及用途

制备方法

由邻氯苯酚经溴化、氯化而得:将邻氯苯酚溶于四氯化碳,于30℃以下搅拌滴加溴素,加完后继续搅拌反应2h,然后在室温下赶出氢溴酸,回收四氯化碳后减压蒸馏,收集110-120℃(2kPa)馏分,得4-溴-2-氯苯酚。将4-溴-2-氯苯酚溶于乙酸中,在冰冷情况下通入氯气,至不再析出结晶为止。加热回流至结晶全部溶解,脱色、过滤、冷却结晶、过滤、用石油醚洗涤,得成品。

合成制备方法

由邻氯苯酚经溴化、氯化而得:将邻氯苯酚溶于四氯化碳,于30℃以下搅拌滴加溴素,加完后继续搅拌反应2h,然后在室温下赶出氢溴酸,回收四氯化碳后减压蒸馏,收集110-120℃(2kPa)馏分,得4-溴-2-氯苯酚。将4-溴-2-氯苯酚溶于乙酸中,在冰冷情况下通入氯气,至不再析出结晶为止。加热回流至结晶全部溶解,脱色、过滤、冷却结晶、过滤、用石油醚洗涤,得成品。

用途简介

有机合成中间体。

用途

有机合成中间体

4-溴-2,6-二氯酚 物化性质

密度:
1.89g/cm3
沸点:
246.6ºC at 760mmHg
闪点:
102.9ºC
折射率:
1.724
其它信息:

1.       性状:白色结晶或稍带粉色的结晶。

2.       熔点(ºC):66.5

3.       溶解性:易溶于醇、醚,微溶于冷的石油醚,不溶于水。

4-溴-2,6-二氯酚 安全信息

海关代码:
2908199090

4-溴-2,6-二氯酚 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      4-Bromo-2,6-dichlorophenol    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        4-Bromo-2,6-dichlorophenol    
    CAS number:        3217-15-0    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    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.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

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.
    Store in closed vessels, refrigerated.
    Storage:

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
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C6H3BrCl2O    
    Molecular weight:        241.9    

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 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

4-溴-2,6-二氯酚 海关数据

中国海关编码:2908199090

概述:
HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 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
摘要/Summary:
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

4-溴-2,6-二氯酚 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:45.61

2、  摩尔体积(cm3/mol):127.9

3、  等张比容(90.2K):344.5

4、  表面张力(dyne/cm):52.5

5、  极化率(10-24cm3):18.08

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:1

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:2

6.拓扑分子极性表面积20.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:110

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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