三(异丙基环戊二烯)化铒(III)

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

三(异丙基环戊二烯)化铒(III) 基本信息

中文名称:
三(异丙基环戊二烯)化铒(III) 
中文别名:
三(异丙基环戊二烯)化铒;
三(异丙基环戊二烯)铒(III) 
英文名称:
Erbium,tris[(1,2,3,4,5-h)-1-(1-methylethyl)-2,4-cyclopentadien-1-yl]-
英文别名:
erbium(3+),2-propan-2-ylcyclopenta-1,3-diene;
TRIS(ISOPROPYLCYCLOPENTADIENYL)ERBIUM;
Er(i-PrCp)3 
CAS No.:
130521-76-5
分 子 式:
C24H33Er
分 子 量:
488.79
精确分子量:
487.18900
PSA:
0.00000
MDL:
MFCD00145481
InChI:
The Key: VWFXUXMUTBKLGA-UHFFFAOYSA-N
危险品标志:
FlammableF
风险术语:
R11
分子结构式:
SDS:
查看

三(异丙基环戊二烯)化铒(III) 物化性质

熔点:
63-65ºC
沸点:
222ºC 10mm
闪点:
68ºC
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物、水分等

其它信息:

1.        性状:晶体

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):222

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,1.3KPa):222

7.         折射率:未确定

8.         闪点(ºC):68

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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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

三(异丙基环戊二烯)化铒(III) 安全信息

包装等级:
III
风险类别:
4.1
危险类别码:
R11

三(异丙基环戊二烯)化铒(III) 毒理性

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

三(异丙基环戊二烯)化铒(III) MSDS


Section 1: Product Identification
   Chemical Name:       Tris(i-propylcyclopentadienyl)erbium (99.9%-Er) (REO)    
   CAS Registry Number:       130521-76-5    
   Formula:       (C3H7C5H4)3Er    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       tris(1-isopropyl-eta5-2,4-cyclopentadien-1-yl)erbium    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       130521-76-5       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to skin, eyes and respiratory tract.    
   Ingestion:       No information 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:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam.    
   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 and full protective clothing.
   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 hazard.

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
   Handle and store the material under an inert atmosphere of nitrogen or argon. Keep away from air and
   Handling and Storage:
   moisture.

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 appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       Material may form a fine dust. 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:       Material may form a fine dust. 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:       yellow to orange xtl.    
   Molecular Weight:       488.79    
   Melting Point:       222°C (sublimes)    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive    
   Hazardous Polymerization:       No hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Air, oxidizing agents, halogens, protic reagents    
   Decomposition Products:       carbon dioxide, carbon monoxide, erbium oxide 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

三(异丙基环戊二烯)化铒(III) 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:487.188526 Da

8、标称质量:487 Da

9、平均质量:488.7778 Da

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:3

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:25

8.表面电荷:0

9.复杂度:468

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:4

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