2-丙烯酸-2-[丁基[(十七氟辛基)-磺酰基]-氨基]-乙基酯

2-丙烯酸-2-[丁基[(十七氟辛基)-磺酰基]-氨基]-乙基酯 基本信息
CAS号 383-07-3 分子式 C17H16F17NO4S
分子量 653.35100 精确质量  653.05300
PSA  72.06000 LogP  7.19520

基本信息 展开↓

CAS号:
383-07-3
3D弹球模型:
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分子式:
C17H16F17NO4S
分子量:
653.35100
中文名称:
2-丙烯酸-2-[丁基[(十七氟辛基)-磺酰基]-氨基]-乙基酯
英文名称:
2-[butyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl prop-2-enoate
中文别名:
2-丙烯酸-2-[丁基[(十七氟辛基)-磺酰基]-氨基]-乙基酯;
2-(N-丁基全氟辛烷磺酰胺)丙烯酸乙酯;
全氟化学品单体
英文别名:
2-[butyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl prop-2-enoate;
2-(N-BUTYLPERFLUOROOCTANESULFONAMIDO)ETHYL ACRYLATE STABILIZED;
2-{butyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl acrylate;
EINECS 206-846-9;
2-Propenoic acid,2(((heptadecafluorooctyl)sulfonyl)butylamino)ethyl ester
精确分子量/精确质量:
653.05300
极性分子表面积/PSA:
72.06000
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:
MFCD00080736
EINECS:
206-846-9
InChI:
The Key: AQQNNAXBGPWALO-UHFFFAOYSA-N

物化性质展开↓

密度:
1.522g/cm3
沸点:
393.6ºC at 760 mmHg
折射率:
1.37
存储条件/存储方法:

密封储存,冷藏,储存于阴凉、干燥的库房。

稳定性相关:

避免与不相容材料接触。
 与强氧化剂反应。

 

其它信息:

1.       性状:棕黄色液体

2.       密度(g/mL,25):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,11.2515mmHg):未确定

7.       折射率(n20/D):未确定

8.       闪点(ºF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(mmHg,25ºC):未确定

12.    饱和蒸气压(kPa,25ºC):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↓

危险类别码:
36/37/38
安全说明:
37/39-26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi: Irritant;

MSDS 展开↓

Name: 2-(N-Butylperfluorooctanesulfonamido)ethyl acrylate stabilized 77% Material Safety Data Sheet
Synonym: 2-Propenoic acid, 2-[butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl ester; 2-[Butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl acrylate; liquid monomer for incorporating perfluoroalkyl groups in polymers
CAS: 383-07-3
Section 1 - Chemical Product   MSDS Name:2-(N-Butylperfluorooctanesulfonamido)ethyl acrylate stabilized 77% Material Safety Data Sheet
Synonym:2-Propenoic acid, 2-[butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl ester; 2-[Butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl acrylate; liquid monomer for incorporating perfluoroalkyl groups in polymers

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
383-07-3 2-[Butyl[(heptadecafluorooctyl)sulfony 77 206-846-9
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Polymerizes readily if not inhibited; heat can initiate reaction.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not let this chemical enter the environment.

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. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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# 383-07-3: 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: brown-yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C17H16F17NO4S
Molecular Weight: 653.35

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. This material is a monomer and may polymerize under certain conditions if the stabilizer is lost.
Conditions to Avoid:
High temperatures, loss of inhibitor.
Incompatibilities with Other Materials:
Strong oxidizing agents, polymerizing initiators.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 383-07-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[Butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl acrylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 383-07-3: No information available.
Canada
CAS# 383-07-3 is listed on Canada's NDSL List.
CAS# 383-07-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 383-07-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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):7.2

2.氢键供体数量:0

3.氢键受体数量:22

4.可旋转化学键数量:16

5.互变异构体数量:无

6.拓扑分子极性表面积72.1

7.重原子数量:40

8.表面电荷:0

9.复杂度:1020

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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