二甲基双(叔丁基环戊二烯基)锆

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

二甲基双(叔丁基环戊二烯基)锆 基本信息

中文名称:
二甲基双(叔丁基环戊二烯基)锆 
中文别名:
二甲基双(叔丁基环戊二烯基)锆 
英文名称:
Zirconium,bis[(1,2,3,4,5-h)-1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]dimethyl-
英文别名:
2-tert-butylcyclopenta-1,3-diene,carbanide,zirconium(4+);
DIMETHYLBIS(T-BUTYLCYCLOPENTADIENYL)ZIRCONIUM;
Dimethylbis(t-butylcyclopentadienyl)zirconium,min.98%;
Bis-(tert-butylcyclopentadienyl)-dimethyl zirconium;
Dimethylbis(t-butylcyclopentadienyl)zirconium, min. 98%;
Dimethylbis(t-butylcyclopentadienyl)zirconium, 98+% 
CAS No.:
68193-40-8
分 子 式:

C20H32Zr

分 子 量:
363.69
精确分子量:
362.15500
PSA:
0.00000
InChI:
The Key: FGPYCAFDFXYRLU-UHFFFAOYSA-N
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
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二甲基双(叔丁基环戊二烯基)锆 物化性质

其它信息:

1.       性状:。

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):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:。

二甲基双(叔丁基环戊二烯基)锆 MSDS


Section 1: Product Identification
   Chemical Name:       Dimethylbis(t-butylcyclopentadienyl)zirconium, min. 98%    
   CAS Registry Number:       68193-40-8    
   Formula:       [(C4H9)C5H4]2Zr(CH3)2    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       Zirconium, dimethylbis[(1,2,3,4,5-.eta.)-t-butyl-2,4-cyclopentadiene-1-yl]    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       68193-40-8       100%       5mg/m3 (as Zr)       5mg/m3 (as Zr)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes, and respiratory tract.    
   Primary Routes of Exposure:       Skin, eyes, inhalation    
   Eye Contact:       Causes mild to moderate irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Dust is irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in
   Inhalation:
   breathing, coughing, wheezing or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product is involved in a fire, firefighters should be equipped with NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   The material will degrade on prolonged exposure to air and moisture. Store under an inert atmosphere of
   Handling and Storage:
   nitrogen or argon. Keep bottle tightly sealed and away from heat and light.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       pale yellow powder    
   Molecular Weight:       363.7    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       water, air, oxidizing agents, halogens    
   Decomposition Products:       zirconium oxide, carbon monoxide, carbon dioxide, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

二甲基双(叔丁基环戊二烯基)锆 分子结构与计算化学数据

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:4

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:21

8.表面电荷:0

9.复杂度:353

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:5

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