3,4-二氯苯乙烯

3,4-二氯苯乙烯 基本信息
CAS号 2039-83-0 分子式 C8H6Cl2
分子量 173.03900 精确质量  171.98500
PSA  0.00000 LogP  3.63640

基本信息 展开↓

CAS号:
2039-83-0
3D弹球模型:
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分子式:
C8H6Cl2
分子量:
173.03900
中文名称:
3,4-二氯苯乙烯
英文名称:
1,2-dichloro-4-ethenylbenzene
中文别名:
3,4-二氯苯乙烯;
乙基1-羟基环戊烷甲酸酯
英文别名:
1,2-dichloro-4-ethenylbenzene;
Benzene,1,2-dichloro-4-ethenyl;
3,4-Dichlor-styrol;
3,4-dichlorophenylethylene;
1,2-dichloro-4-ethenyl-benzene;
1,2-Dichloro-4-vinylbenzene;
3,4-dichlorostyrene
精确分子量/精确质量:
171.98500
极性分子表面积/PSA:
0.00000
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。
EINECS:
218-023-1
InChI:
The Key: BJQFWAQRPATHTR-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明无色至黄色液体
密度:
1.242g/cm3
沸点:
238.9ºC at 760mmHg
闪点:
101.7ºC
折射率:
1.589
蒸汽压:
0.0638mmHg at 25°C
其它信息:

相对密度(20℃,4℃):1.2557

安全信息展开↓

海关代码:
2903999090

合成路线查看所有的合成路线

  • 1475-11-2

    1-(3,4-二氯苯基)乙醇

  • ~66%

  • 2039-83-0

    3,4-二氯苯乙烯

  • 54509-73-8

    ethene

  • +

  • 3024-72-4

    3,4-二氯苯甲酰氯

  • ~18%

  • 2039-83-0

    3,4-二氯苯乙烯

  • 136272-23-6

    1-(3,4-dichlorophenyl)-2-(trimethylsilyl)ethyl 2,2,2-trifluoroacetate

  • 2039-83-0

    3,4-二氯苯乙烯

  • +

  • 76-05-1

    三氟乙酸

化学图谱

  1. 3,4-二氯苯乙烯核磁图(1HNMR)

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MSDS 展开↓

Name: 3 4-Dichlorostyrene stabilized 95% Material Safety Data Sheet
Synonym:
CAS: 2039-83-0
Section 1 - Chemical Product   MSDS Name:3 4-Dichlorostyrene stabilized 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2039-83-0 3,4-Dichlorostyrene 95% 218-023-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Combustible liquid.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2039-83-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: colorless to yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 68 - 70 deg C @1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 71 deg C ( 159.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6Cl2
Molecular Weight: 173.04

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, acids, halogens.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2039-83-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dichlorostyrene - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2039-83-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2039-83-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2039-83-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2903999090

概述:
2903999090 其他芳烃卤化衍生物. 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
摘要/Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

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:0

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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