4-氰基苯乙烯

4-氰基苯乙烯 基本信息
CAS号 3435-51-6 分子式 C9H7N
分子量 129.15900 精确质量  129.05800
PSA  23.79000 LogP  2.20128

基本信息 展开↓

CAS号:
3435-51-6
3D弹球模型:
立即前往扯扯看
分子式:
C9H7N
分子量:
129.15900
中文名称:
4-氰基苯乙烯
英文名称:
4-ethenylbenzonitrile
中文别名:
4-氰基苯乙烯;
4-氰基苯乙烯, 97%, 0.05%的对叔丁基邻苯二酚作稳定剂;
4-乙烯基苯甲腈
英文别名:
4-ethenylbenzonitrile;
Benzonitrile,p-vinyl;
4-ethenyl-benzonitrile;
1-ethenyl-4-cyanobenzene;
4-Cyanostyrene;
Benzonitrile,4-ethenyl;
4-vinyl-benzonitrile
精确分子量/精确质量:
129.05800
极性分子表面积/PSA:
23.79000
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:
MFCD00080445
InChI:
The Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N

物化性质展开↓

密度:
1g/cm3
沸点:
245ºC at 760mmHg
闪点:
102ºC
折射率:
1.5765-1.5785
存储条件/存储方法:

常温,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:液体

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):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):92-93

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↓

包装等级:
III
风险类别:
6.1
海关代码:
2926909090
危险类别码:
23/24/25
安全说明:
45
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
危险标志:
T: Toxic;

合成路线查看所有的合成路线

  • 3058-39-7

    4-碘氰基苯

  • +

  • 7486-35-3

    三丁基乙烯基锡

  • ~98%

  • 3435-51-6

    4-氰基苯乙烯

  • 3058-39-7

    4-碘氰基苯

  • +

  • 754-06-3

    ethenyl(trimethyl)stannane

  • ~97%

  • 3435-51-6

    4-氰基苯乙烯

  • 637-69-4

    4-甲氧基苯乙烯

  • +

  • 66107-32-2

    三氟甲磺酸4-氰基苯基醚

  • ~91%

  • 3435-51-6

    4-氰基苯乙烯

毒理性展开↓

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

MSDS 展开↓

Name: 4-Cyanostyrene stabilized with 0.05% t-butylcatechol 95% Material Safety Data Sheet
Synonym: p-Vinylbenzonitrile; p-Cyanostyrene
CAS: 3435-51-6
Section 1 - Chemical Product   MSDS Name:4-Cyanostyrene stabilized with 0.05% t-butylcatechol 95% Material Safety Data Sheet
Synonym:p-Vinylbenzonitrile; p-Cyanostyrene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3435-51-6 Benzonitrile, 4-ethenyl- 95 unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Fire or excessive heat may result in violent rupture of the container due to bulk polymerization.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, or water spray.
For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid breathing vapor or mist. Pure vapor will be uninhibited and may polymerize in vents or other confined spaces.
Storage:
Store in a tightly closed container. Deep freeze (below -20C).

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# 3435-51-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear, colorless
Odor: disagreeable odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 56-58 deg C @ 10 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: immiscible
Specific Gravity/Density:
Molecular Formula: C9H7N
Molecular Weight: 129.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
May polymerize.
Conditions to Avoid:
Light, ignition sources, excess heat, loss of inhibitor.
Incompatibilities with Other Materials:
Strong oxidizing agents, polymerization catalysts, polymerizing initiators.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3435-51-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzonitrile, 4-ethenyl- - 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
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: II
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: II
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 3435-51-6: No information available.
Canada
CAS# 3435-51-6 is listed on Canada's NDSL List.
CAS# 3435-51-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3435-51-6 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:2926909090

概述:
2926909090 其他腈基化合物. 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
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% 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:40.34

2、   摩尔体积(m3/mol):127.9

3、   等张比容(90.2K):320.5

4、   表面张力(dyne/cm):39.3

5、   极化率10-24cm3):15.99

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:1

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23.8

7.重原子数量:10

8.表面电荷:0

9.复杂度:155

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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