中文名 | 双(五甲基环戊烯)二氯化钛 |
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英文名 | bis(pentamethylcyclopentadienyl)titanium dichloride |
中文别名 | 双(五甲基环戊二烯)二氯化钛 |
英文别名 |
1,2,3,5,5-pentamethylcyclopenta-1,3-diene,titanium(4+),dichloride
MFCD00049153 Bis(pentamethylcyclopentadienyl)titanium dichloride |
熔点 | 190 °C (dec.)(lit.) |
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分子式 | C20H30Cl2Ti |
分子量 | 389.22500 |
精确质量 | 388.12000 |
LogP | 7.32300 |
外观性状 | 红色或棕色晶体或针状 |
储存条件 | 密封于阴凉干燥处。 |
稳定性 | 遵照规格使用和储存则不会分解。 |
分子结构 | 1、摩尔折射率:无可用 2、 摩尔体积(cm3/mol): 无可用 3、 等张比容(90.2K):无可用 4、 表面张力(dyne/cm):无可用 |
计算化学 | 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: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:23 8.表面电荷:0 9.复杂度:484 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 |
更多 | 1. 性状:无可用 2. 密度(g/mL,25/4℃): 无可用 3. 相对蒸汽密度(g/mL,空气=1):无可用 4. 熔点(ºC):190 5. 沸点(ºC,常压):无可用 6. 沸点(ºC,5.2kPa): 无可用 7. 折射率: 无可用 8. 闪点(ºC): 无可用 9. 比旋光度(º):无可用 10. 自燃点或引燃温度(ºC):无可用 11. 蒸气压(kPa,25ºC):无可用 12. 饱和蒸气压(kPa,60ºC):无可用 13. 燃烧热(KJ/mol):无可用 14. 临界温度(ºC):无可用 15. 临界压力(KPa):无可用 16. 油水(辛醇/水)分配系数的对数值:无可用 17. 爆炸上限(%,V/V):无可用 18. 爆炸下限(%,V/V): 无可用 19. 溶解性:无可用 |
Section 1: Product Identification Chemical Name:Bis(pentamethylcyclopentadienyl)titanium dichloride, 99% CAS Registry Number:11136-36-0 Formula:[(CH3)5C5]2TiCl2 EINECS Number:none Chemical Family:organometallic complex Synonym:Dichlorobis(pentamethylcyclopentadienyl)titanium (IV)
Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound11136-36-0100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes, and mucous membranes Primary Routes of Exposure:Ingestion Eye Contact:Severe irritant to the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:The material is a crystalline solid. Inhalation is an unlikely source of exposure. 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 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, dry powder or foam Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus Special Fire Fighting Procedures: and full protective clothing. Hazardous Combustion andIf 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 moisture. Store under an inert atmosphere of nitrogen or Handling and Storage: 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:red-brown xtl. Molecular Weight:389.23 Melting Point:no data Boiling Point:decomposes Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:reacts with water SECTION 10: Stability and Reactivity Stability:moisture-sensitive solid Hazardous Polymerization:none Conditions to Avoid:exposure to moisture Incompatibility:water, strong oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, hydrochloric acid, organic fumes, and titanium oxide. SECTION 11: Toxicological Information RTECS Data:No data 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 on the TSCA inventory SARA (Title 313):not regulated by Title 313 Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 该物质对环境可能有危害,对水体应给予特别注意。
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危害码 (欧洲) | Xn: Harmful; |
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风险声明 (欧洲) | R20/21/22 |
安全声明 (欧洲) | S26-S36 |
危险品运输编码 | UN3261 |
WGK德国 | 3 |
包装等级 | II |
危险类别 | 8 |
~14% 11136-36-0 |
文献:Organometallics, , vol. 4, p. 550 - 553 |
~% 11136-36-0 |
文献:Journal of Organometallic Chemistry, , vol. 333, p. 205 - 216 |
~% 11136-36-0 |
文献:Inorganic Chemistry, , vol. 34, p. 2499 - 2500 |