2,6-二氯-ω-硝基苯乙烯

2,6-二氯-ω-硝基苯乙烯 基本信息
CAS号 22482-43-5 分子式 C8H5Cl2NO2
分子量 218.03700 精确质量 　216.97000
PSA 　45.82000 LogP 　3.76400
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等价的CAS号：

52287-52-2,22482-43-5
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
22482-43-5
3D弹球模型：
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分子式：
C8H5Cl2NO2
分子量：
218.03700
中文名称：
2,6-二氯-ω-硝基苯乙烯
英文名称：
1,3-dichloro-2-[(E)-2-nitroethenyl]benzene
中文别名：
2,6-二氯-ω-硝基苯乙烯;
2,6-二氯-~-硝基苯乙烯;
2,6-二氯-omega-硝基苯乙烯
英文别名：
1,3-dichloro-2-[(E)-2-nitroethenyl]benzene;
1,3-dichloro-2-(2-nitro-vinyl)-benzene;
2,6-dichloronitrostyrene;
1-(3,4-Methylenedioxy)phenyl-2-nitroethene;
1,3-Dichloro-2-(2-nitroethenyl)benzene;
1-Nitro-2-(2,6-dichlorphenyl)ethylen;
1-(2,6-Dichlorophenyl)-2-nitroaethylen;
2,6-Dichlor-2'-nitrovinyl-benzol
精确分子量/精确质量：
216.97000
极性分子表面积/PSA：
45.82000
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。
贝尔斯坦号/MDL：
MFCD00024821
EINECS：
000-000-0
BRN：
1960934
InChI：
The Key: VXNHQIKJDIOBEC-UHFFFAOYSA-N

生产制备方法及用途展开↓

合成制备方法


用途


物化性质展开↓

密度：
1.447g/cm3
熔点：
63-67ºC
沸点：
330.6ºC at 760mmHg
闪点：
153.7ºC
折射率：
1.626
蒸汽压：
0.000316mmHg at 25°C
存储条件/存储方法：

保持贮藏器密封

放入紧密的贮藏器内，储存在阴凉，干燥的地方

稳定性相关：

如果遵照规格使用和储存则不会分解

避免接触氧化物

其它信息：

1. 性状：未确定

2. 密度（g/mL,25/4℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：64-65

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）： 未确定

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：未确定


安全信息展开↓

海关代码：
2904909090
危险类别码：
R36/37/3
安全说明：
S26-S37/39
安全标志：
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志：
Xi: Irritant;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ5430000
CHEMICAL NAME :
Benzene, 1,3-dichloro-2-(2-nitroethenyl)-
CAS REGISTRY NUMBER :
22482-43-5
LAST UPDATED :
198608
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H5-Cl2-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
706 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985
毒理学数据：

急性毒性：大鼠口经LD50：706mg/kg

生态数据：

对水是稍微危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: 2 6-Dichloro-omega-nitrostyrene Material Safety Data Sheet
Synonym:
CAS: 22482-43-5
Section 1 - Chemical Product   MSDS Name:2 6-Dichloro-omega-nitrostyrene Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22482-43-5 2,6-Dichloro-omega-nitrostyrene unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22482-43-5: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 64 - 65 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H5Cl2NO2
Molecular Weight: 218.04
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide, nitric acid.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 22482-43-5: CZ5430000 LD50/LC50:
CAS# 22482-43-5: Oral, mouse: LD50 = 706 mg/kg.
Carcinogenicity:
2,6-Dichloro-omega-nitrostyrene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 22482-43-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22482-43-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22482-43-5 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：2904909090

概述：
2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 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:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated 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↓

分子结构数据

1、   摩尔折射率：53.32

2、   摩尔体积(cm3/mol)：150.5

3、   等张比容(90.2K)：400.7

4、   表面张力(dyne/cm)：50.1

5、   极化率(10-24cm3)：21.13

计算化学数据

1.疏水参数计算参考值（XlogP）:3.4

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45.8

7.重原子数量:13

8.表面电荷:0

9.复杂度:205

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:1

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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