107333-47-1

• 常用中文名：(三甲基)五甲基环戊二烯基钛(IV)
• 常用英文名：(TRICHLOROMETHYL)TRIMETHYLSILANE
• CAS号：107333-47-1
• 分子式：C₁₃H₂₄Ti
• 分子量：228.19700
• 发布时间：2018-06-29 10:27:06
• 更新时间：2024-01-04 11:13:19

名称

• 中文名: 三甲基(五甲基环戊二烯)钛
• 英文名: carbanide,cyclopenta-1,3-diene,titanium(4+)
• 中文别名: 三甲基五甲基环戊二烯钛(IV)
• 英文别名: decamethylrhenocene; MFCD00269851

物化性质

• 分子式: C₁₃H₂₄Ti
• 分子量: 228.19700
• 精确质量: 228.13600
• LogP: 4.72340
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离氧化剂，空气，水源，湿气，光照。常用惰性气体保护。存放在暗处。

• 稳定性:

  常温常压下稳定，避免与水分，光，空气，氧化剂接触。

• 分子结构:

  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：228.135748 Da

  8、标称质量：228 Da

  9、平均质量：228.1967 Da

• 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:9

  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:14

  8.表面电荷:-5

  9.复杂度:73.3

  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:10

• 更多:

  1. 性状：黄色晶体

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，32mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：不溶于水

MSDS

Section 1: Product Identification Chemical Name:(Trimethyl)pentamethylcyclopentadienyltitanium(IV), min. 97% CAS Registry Number:107333-47-1 Formula:(CH3)5C5Ti(CH3)3 EINECS Number:none Chemical Family:metallocene Synonym:Titanium, trimethyl[(1,2,3,4,5-.eta.)-2,4-cyclopentadiene-1-yl] Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound107333-47-1100%no datano data Section 3: Hazards Identification Emergency Overview:May be irritating to skin, eyes and mucous membranes. Primary Routes of Exposure:Ingestion Eye Contact:May cause mild to moderate irritation of the eyes. Skin Contact:May cause slight to mild irritation of the skin. Inhalation:Dust may be irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information is available on the physiological effects of ingestion. Acute Health Affects:May be 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:no data Explosion Limits:no data Extinguishing Medium:carbon dioxide or 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. Hazardous Combustion andIf involved in a fire this product may emit toxic and corrosive fumes. Decomposion Products: Unusual Fire or Explosion Hazards: Flammable solid SECTION 6: Accidental Release Measures Spill and Leak Procedures:Remove sources of ignition. do not raise dust. sweep up the solids and dispose of properly. SECTION 7: Handling and Storage Handle and store the material under an inert atmosphere of nitrogen or argon. Keep away from heat 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 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:yellow xtl. Molecular Weight:228.22 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air, light and moisture sensitive. (store cold) Hazardous Polymerization:No hazardous polymerization. Conditions to Avoid:none Incompatibility:oxidizing agents and active metals Decomposition Products:carbon monoxide, carbon dioxide, titanium 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):Flammable solids, Organic, N.O.S. Hazard Class (CFR):4.1 Additional Hazard Class (CFR):NA Packaging Group (CFR):II UN ID Number (CFR):UN# 1325 Shipping Name (IATA):Flammable solid, Organic, N.O.S. Hazard Class (IATA):4.1 Additional Hazard Class (IATA):NA Packaging Group (IATA):II UN ID Number (IATA):UN# 1325 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

毒性和生态

生态学数据: 该物质对环境不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 风险声明 (欧洲): 10
• 安全声明 (欧洲): 16
• 危险品运输编码: UN 1325
• 包装等级: II
• 危险类别: 4.1
• 海关编码: 2931900090

合成路线

12129-06-5 917-54-4 ~96% 107333-47-1

文献：Mena, Miguel; Royo, Pascual; Serrano, Ricardo; Pellinghelli, Maria Angela; Tiripicchio, Antonio Organometallics, 1989 , vol. 8, p. 476 - 482

666860-15-7 75-24-1 ~% 107333-47-1

文献：Organometallics, , vol. 23, # 4 p. 836 - 845

1202038-74-1 75-24-1 ~% 107333-47-1

文献：Organometallics, , vol. 28, # 24 p. 6944 - 6956

937784-85-5 75-24-1 ~% 107333-47-1 154789-31-8

文献：Organometallics, , vol. 28, # 24 p. 6944 - 6956

上下游产品

上游产品  5
12129-06-5 917-54-4 666860-15-7 75-24-1
1202038-74-1
下游产品  0

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%