二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 下游产品

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 基本信息

中文名称:
二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 
中文别名:
二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯);
二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 
英文名称:
Acetic acid,2,2'-(1,3-dithietane-2,4-diylidene)bis[2-cyano-, dimethyl ester (9CI)
英文别名:
methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate;
DIMETHYL-2,2-(1,3-DITHIAN-2,4-DIYLIDEN)-BIS-(CYANOACETATE);
dimethyl-2,2-(1,3-dithietan-2,4-diyliden)-bis-(2-cyanoacetate);
DIMETHYL-2,2-(1,3-DITHIETAN-2,4-DIYLIDEN)-BIS-(2-CYANOACETATE), 99+%;
Dimethyl-2,2-(1,3-dithian-2,4-diyliden)-bis-(cyanoacetate),99+% 
CAS No.:
52046-75-0
分 子 式:

C10H6N2O4S2

分 子 量:
282.27
精确分子量:
310.00800
PSA:
150.78000
MDL:
MFCD00144133
InChI:
The Key: ZTAHANLIYMMGHK-VTBWALSUSA-N
危险品标志:

 

风险术语:

 

安全术语:

S24/25

分子结构式:
SDS:
查看

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 物化性质

密度:
1.564g/cm3
熔点:
229-235ºC
沸点:
380.2ºC at 760mmHg
闪点:
183.8ºC
折射率:
1.641
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):229-235

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

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 安全信息

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 毒理性

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。

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 MSDS

Name: Dimethyl-2 2-(1 3-Dithietan-2 4-Diyliden)-Bis-(2-Cyanoacetate) Material Safety Data Sheet
Synonym: None known
CAS: 52046-75-0
Section 1 - Chemical Product   MSDS Name:Dimethyl-2 2-(1 3-Dithietan-2 4-Diyliden)-Bis-(2-Cyanoacetate) Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
52046-75-0 Dimethyl-2,2-(1,3-Dithietan-2,4-Diylid 99+% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Non-irritating to the eyes.
Skin:
Non-irritating to the skin.
Ingestion:
Low hazard for usual industrial handling.
Inhalation:
Low hazard for usual industrial handling.
Chronic:
None

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. If irritation develops, get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Wash mouth out with water. Get medical aid if irritation or symptoms occur.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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 foam, dry chemical, or carbon dioxide.

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. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash hands before eating. Minimize dust generation and accumulation.
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use with adequate ventilation.
Storage:
Store in a cool, dry place. Store in a tightly closed container. No special precautions indicated.

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# 52046-75-0: 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 minimize contact with skin.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white to light yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 229 - 235 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H6N2O4S2
Molecular Weight: 282.27

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 52046-75-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Dimethyl-2,2-(1,3-Dithietan-2,4-Diyliden)-Bis-(2-Cyanoacetate) - 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# 52046-75-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52046-75-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52046-75-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:79.46

2   摩尔体积m3/mol229.7

3   等张比容(90.2K):636.2

4   表面张力dyne/cm58.8

5   极化率10-24cm331.50

计算化学数据

1.疏水参数计算参考值(XlogP):1.3

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积151

7.重原子数量:18

8.表面电荷:0

9.复杂度:509

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

二甲基-2,2-(1,3-二硫-2,4-二烯)-二(氰基乙酸乙酯0 下游产品

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