329735-75-3

• 常用中文名：正丁基环戊二烯三氯化锆
• 常用英文名：n-butylcyclopentadienylzirconium trichloride
• CAS号：329735-75-3
• 分子式：C₉H₁₃Cl₃Zr
• 分子量：318.78300
• 发布时间：2018-04-28 08:00:00
• 更新时间：2024-01-02 07:40:21

名称

• 中文名: 正丁基环戊二烯三氯化锆
• 英文名: n-butylcyclopentadienylzirconium trichloride
• 中文别名: 三氯化正丁基环戊二烯锆
• 英文别名: n-Butylcyclopentadienylzirkoniumtrichlorid; n-Butycylopentadienylzirconium Trichloride

物化性质

• 分子式: C₉H₁₃Cl₃Zr
• 分子量: 318.78300
• 精确质量: 315.91300
• LogP: 4.65040
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  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51.8

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:331

  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

MSDS

Section 1: Product Identification Chemical Name:n-Butylcyclopentadienylzirconium trichloride CAS Registry Number:329735-75-3 Formula:C4H9(C5H4)ZrCl3 EINECS Number:none Chemical Family:metallocene Synonym:Trichloro(n-butylcyclopentadienyl)zirconium (IV) Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound329735-75-3100%5mg/m3 (as Zr)5mg/m3 (as Zr) Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. May be harmful if swallowed. Primary Routes of Exposure:Ingestion, inhalation Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information on the physiological effects of ingestion. May be harmful if swallowed. 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 Inhalation: in 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, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit irritating and toxic 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 Store in a tightly sealed container. Handle and store under an inert atmosphere of nitrogen or argon. Handling and Storage: Exposure to air may result in degradation of the product. 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:dark orange solid Molecular Weight:318.78 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:moisture sensitive (store cold) Hazardous Polymerization:none Conditions to Avoid:contact with moisture Incompatibility:strong oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, hydrogen chloride, organic fumes and zirconium oxide SECTION 11: Toxicological Information RTECS Data:No information available from 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 on the TSCA inventory SARA (Title 313):not reportable under SARA Title 313 Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 风险声明 (欧洲): 34
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: UN 3261

合成路线

73364-10-0 10026-11-6 ~87% 329735-75-3

文献：Chevron Phillips Chemical Company, L.P. Patent: US2008/4460 A1, 2008 ; Location in patent: Page/Page column 24-25 ;