123927-75-3

• 常用中文名：三甲氧基五甲基环戊二烯基钛(IV)
• 常用英文名：Pentamethylcyclopentadienyltitanium trimethoxide
• CAS号：123927-75-3
• 分子式：C₁₃H₂₄O₃Ti
• 分子量：276.19500
• 相关类别： 有机原料 有机金属类化合物 有机钛
• 发布时间：2018-09-14 18:39:03
• 更新时间：2024-01-02 10:12:29

名称

• 中文名: 三甲氧基(五甲基环戊二烯)钛
• 英文名: carbanide,cyclopenta-1,3-diene,methanolate,titanium
• 中文别名: 三甲氧基五甲基环戊二烯基钛(IV)
• 英文别名: Titanium,trimethoxy[(1,2,3,4,5-h)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]; Pentamethylcyclopentadienyltitanium trimethoxide; (Pentamethylcyclopentadienyl)trimethoxytitanium; 1,3-Cyclopentadiene,1,2,3,4,5-pentamethyl-,titanium complex; Trimethoxy(pentamethylcyclopentadienyl) titanium(IV); Trimethoxy(pentamethylcyclopentadienyl)titanium; MFCD00269850

物化性质

• 密度: 1.081 g/mL at 25 °C(lit.)
• 沸点: 285 °C(lit.)
• 分子式: C₁₃H₂₄O₃Ti
• 分子量: 276.19500
• 闪点: 141 °F
• 精确质量: 276.12000
• PSA: 27.69000
• LogP: 3.26330
• 外观性状: 黄色液体
• 折射率: n20/D 1.554(lit.)
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性: 如果遵照规格使用和储存则不会分解，未有已知危险反应 避免氧化物、水分等
• 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：276.120492 Da

  8、标称质量：276 Da

  9、平均质量：276.1949 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69.2

  7.重原子数量:17

  8.表面电荷:-9

  9.复杂度:74.9

  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：黄色液体

  2. 密度（g/mL,20℃）：1.081

  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）：285

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：n20/D 1.554

  8. 闪点（ºC）：60.6

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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：未确定

MSDS

Name: Trimethoxy(pentamethylcyclopentadienyl) titanium(IV) Material Safety Data Sheet Synonym: CAS: 123927-75-3 Section 1 - Chemical Product MSDS Name:Trimethoxy(pentamethylcyclopentadienyl) titanium(IV) Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 123927-75-3 Trimethoxy(pentamethylcyclopentadienyl unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Combustible liquid. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition. Use a spark-proof tool. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Handle under argon. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Store under argon. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 123927-75-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 285 deg C @ 760 mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 60 deg C ( 140.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.081 Molecular Formula: C13H24O3Ti Molecular Weight: 276.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, titanium/titanium oxides. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 123927-75-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Trimethoxy(pentamethylcyclopentadienyl) titanium(IV) - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Flammable liquid, n.o.s.* Hazard Class: 3 UN Number: 1993 Packing Group: III IMO Shipping Name: Flammable liquid, n.o.s. Hazard Class: 3.3 UN Number: 1993 Packing Group: III RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 123927-75-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 123927-75-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 123927-75-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S24/25
• 危险品运输编码: 1993
• WGK德国: 3