3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物

  • 基本信息
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学

3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 基本信息

中文名称:
3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 
中文别名:
3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 
英文名称:
3-(2-Maleimidoethylcarbamoyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl
英文别名:
(3S)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;
3-(2-MALEIMIDOETHYLCARBAMOYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY;
3-(2-Maleimidoethylcarbamoyl)-PROXYL;
3-(2-MALEIMIDOETHYLCARBAMOYL)-PROXYL, FREE RADICAL;
3-(2-MALEIMIDOETHYLCARBOMOYL)-PROXYL;
3-(2-MALEIMIDOETHYLCARBAMOYL)-PROXYL, 95%, FREE RADICAL;
3-(2-Maleimidoethylcarbamoyl)-PROXYL3-(2-Maleimidoethylcarbamoyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy 
CAS No.:
66641-27-8
分 子 式:
C15H22N3O4
分 子 量:
308.35
精确分子量:
308.16100
PSA:
69.72000
安全术语:
S24/25
分子结构式:
SDS:
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3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 物化性质

密度:
1.226g/cm3
熔点:
138-142ºC
沸点:
530.4ºC at 760 mmHg
闪点:
274.6ºC
折射率:
1.543
存储条件/存储方法:

 

密闭于0-6 ºC阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):138-142

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 MSDS

Name: 3-(2-Maleimidoethyl-carbomoyl)-Proxyl Free Radical Material Safety Data Sheet
Synonym:
CAS: 66641-27-8
Section 1 - Chemical Product   MSDS Name:3-(2-Maleimidoethyl-carbomoyl)-Proxyl Free Radical Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
66641-27-8 3-(2-Maleimidoethyl-Carbomoyl)-Proxyl, unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 immediately.
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 immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 66641-27-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 138.00 - 139.00 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: C15H22N3O4
Molecular Weight: 308.35

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 66641-27-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Maleimidoethyl-Carbomoyl)-Proxyl, Free Radical - 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# 66641-27-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 66641-27-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 66641-27-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-(2-马来酰亚氨基乙基氨基甲酰基)-2,2,5,5-四甲基-1-吡咯烷基氧化物 分子结构与计算化学数据

分子结构数据

1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据

1.疏水参数计算参考值(XlogP):-0.3

2.氢键供体数量:2

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积90

7.重原子数量:22

8.表面电荷:0

9.复杂度:521

10.同位素原子数量:0

11.确定原子立构中心数量:1

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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