Yttrium tris(2-butylcyclopenta-1,3-dien-1-ide) | 312739-77-8

• 物质功能分类: 化学试剂 - 有机试剂 - 烯烃（环状与无环状）
• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: Yttrium tris(2-butylcyclopenta-1,3-dien-1-ide)
• 英文别名: 2-butylcyclopenta-1,3-diene;yttrium(3+)
• CAS: 312739-77-8
• 化学式: C27H39Y
• 分子量: 452.5
• InChiKey: AERMMSPPPKCVDC-UHFFFAOYSA-N

物化性质

• 密度：
  1.11 g/mL at 25 °C(lit.)
• 闪点：
  135 °F
• 暴露限值：
  ACGIH: TWA 1 mg/m3NIOSH: IDLH 500 mg/m3; TWA 1 mg/m3
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  3
• 危险品标志：
  F
• 安全说明：
  S16,S36/37/39,S43
• 危险类别码：
  R17
• 包装等级：
  III
• WGK Germany：
  3
• 危险品运输编号：
  UN 1993

SDS

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Section 1: Product Identification
Chemical Name: Tris(butylcyclopentadienyl)yttrium (99.9%-Y) (REO)
CAS Registry Number: 312739-77-8
Formula: (C4H9C5H4)3Y
EINECS Number: none
Chemical Family: metallocene
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 312739-77-8 100% 1mg/m3 as Y 1mg/m3 as Y

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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, inhalation, skin
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.
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

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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.

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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-butylcyclopentadiene with water.

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

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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.

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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. 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. Handle under an inert atmosphere of nitrogen or argon.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: yellow liquid
Molecular Weight: 452.52
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air 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.

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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

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SECTION 12: Ecological Information
Ecological Information: No information available.

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

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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

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

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SECTION 16 - ADDITIONAL INFORMATION
N/A