1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 表征图谱

1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 基本信息

中文名称:
1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 
中文别名:
二甲基氨基丙基乙基碳酰胺;
1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐;
1-(3-二甲基氨丙基)-3-乙基碳二亚胺甲碘盐;
EDC甲基碘化物;
1-(3-二甲氨丙基)-3-乙基碳二亚胺甲碘盐 
英文名称:
1-(3-dimethylaminopropyl)-3-ethylcarbodiimide methiodide
英文别名:
3-(ethyliminomethylideneamino)propyl-trimethylazanium,iodide;
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide methiodide;
3-{[(ethylimino)methylene]amino}-n,n,n-trimethylpropan-1-aminium iodide;
EINECS 245-095-1;
1-(-dimethylaminopropyl)-3-ethylcarbodiimide methiodide;
1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide methiodide;
1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide methiodide;
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimidemethiodide;
EDC methiodide 
CAS No.:
22572-40-3
分 子 式:

C9H20N3.I

分 子 量:
297.17
精确分子量:
297.07000
PSA:
24.72000
MDL:
MFCD00011833
EINECS:
245-095-1
BRN:
4162760
InChI:
InChI=1/C8H17N3.CH3I/c1-4-9-8-10-6-5-7-11(2)3;1-2/h4-7H2,1-3H3;1H3
危险品标志:

HarmfulXn;

风险术语:

R20/21/22;R36/37/38

安全术语:

S26;S36/37

分子结构式:
SDS:
查看

1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 制备方法及用途

制备方法

1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐主要用作多肽、蛋白质、核苷酸合成中的脱水剂。

合成制备方法


用途简介

用途


1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 物化性质

外观与性状:
固体
熔点:
97-99 °C(lit.)
沸点:
197.7°C at 760 mmHg
闪点:
73.4°C
蒸汽压:
0.373mmHg 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

避免接触水分/潮湿,氧化物,光

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):97-99

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


1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22
安全说明:
S26-S36/37
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:
Xn

1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 毒理性

毒理学数据:


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

1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 MSDS

Name: 1-(3-Dimethylaminopropyl)-3-Ethylcarbodiimide Methiodide 98% Material Safety Data Sheet
Synonym: None Known
CAS: 22572-40-3
Section 1 - Chemical Product   MSDS Name:1-(3-Dimethylaminopropyl)-3-Ethylcarbodiimide Methiodide 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22572-40-3 1-(3-Dimethylaminopropyl)-3-Ethylcarbo 98% 245-095-1
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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 22572-40-3: 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: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 97 - 99 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: 50 g/l water
Specific Gravity/Density:
Molecular Formula: C9H20IN3
Molecular Weight: 297.0646

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, light, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen iodide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 22572-40-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3-Dimethylaminopropyl)-3-Ethylcarbodiimide Methiodide - 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: 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# 22572-40-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22572-40-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22572-40-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-乙基-3-(3-二甲胺基丙基)碳二亚胺碘甲烷盐 分子结构与计算化学数据

分子结构数据


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:3

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积24.7

7.重原子数量:13

8.表面电荷:0

9.复杂度:161

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:2

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