三(甲基环戊二烯)化钇(III)

  • 基本信息
  • 安全信息
  • MSDS
  • 结构与计算化学

三(甲基环戊二烯)化钇(III) 基本信息

中文名称:
三(甲基环戊二烯)化钇(III) 
中文别名:
三(甲基环戊二烯)化钇(III);
三(甲基环戊二烯)化钇(III) 
英文名称:
Yttrium,tris[(1,2,3,4,5-h)-1-methyl-2,4-cyclopentadien-1-yl]-
英文别名:
2-methylcyclopenta-1,3-diene,yttrium(3+);
Tris(methylcyclopentadienyl)yttrium;
Yttrium,tris[(1,2,3,4,5-h)-1-methyl-2,4-cyclopentadien-1-yl];
Tris(methylcyclopentadienyl)yttrium(III) 
CAS No.:
329735-72-0
分 子 式:
C18H21Y
分 子 量:
326.27
精确分子量:
326.07000
PSA:
0.00000
MDL:
MFCD00145485
分子结构式:
SDS:
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三(甲基环戊二烯)化钇(III) 安全信息

包装等级:
III
风险类别:
4.1

三(甲基环戊二烯)化钇(III) MSDS


Section 1: Product Identification
   Chemical Name:       Tris(methylcyclopentadienyl)yttrium (99.9%-Y) (REO)    
   CAS Registry Number:       329735-72-0    
   Formula:       (CH3C5H4)3Y    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       329735-72-0       100%       1mg/m3 as Y       1mg/m3 as Y    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. Moisture may liberate heat and vapors of methylcyclopentadiene.    
   Primary Routes of Exposure:       Ingestion, eyes, inhalation, skin    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin. Moisture can cause hydrolysis and possible thermal burns.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   No specific information on the physiological effects of ingestion. Ingestion may lead to thermal burns, vomiting
   Ingestion:
   and diarrhea.
   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:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, 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 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: Flammable solid. Evolves flammable n-methylcyclopentadiene with water.

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

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:       The material will react with air and moisture. Handle under an inert atmosphere of nitrogen or argon.    
   If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
   Respirator:
   requires a Respiratory Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       The material will react with air and moisture. Handle under an inert atmosphere of nitrogen or argon.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       yellow xtl.    
   Molecular Weight:       326.27    
   Melting Point:       no data    
   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:       Contact with air or water.    
   Incompatibility:       Water, alcohols, oxidizers, oxygen, halogens, halocarbons, mineral acids.    
   Decomposition Products:       carbon monoxide, carbon dioxide, yttrium oxide and organic fumes.    

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

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(甲基环戊二烯)化钇(III) 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:3

4.可旋转化学键数量:0

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:19

8.表面电荷:0

9.复杂度:362

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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