60955-54-6

• 常用中文名：双(环戊二烯)氯化钛
• 常用英文名：nugent's reagent
• CAS号：60955-54-6
• 分子式：C₁₀H₁₀ClTi
• 分子量：213.50600
• 相关类别： 有机原料 有机金属类化合物 有机钛
• 发布时间：2018-09-18 12:49:44
• 更新时间：2026-08-09 22:49:30

• 固体Nugent试剂是以氯桥二聚体形式存在的，当遇到给电子溶剂如THF时则会分解为相应的单体，得到松弛的溶剂化钛中心自由基，进而实现环氧化物的单电子还原反应。

  Nugent试剂能够高效实现甲基呋喃糖苷的脱氧反应，较高产率地得到相应的烯烃产物 (式3)。

  在天然产物methylenolactocin的立体选择性全合成中，Nugent试剂能够用于实现其关键的分子内环化反应步骤 (式4)。

  在Nugent试剂诱导下，环氧化物能对活性烯烃发生分子内加成反应，实现环氧化物C-O键的均裂 (式5)。反应形成的δ-羟基酯经水解后即可环化为螺旋内酯。

名称

• 中文名: 双(环戊二烯)氯化钛
• 英文名: nugent's reagent
• 中文别名: 双(环戊二烯基)钛(III)酰氯
• 英文别名: TITANOCENE MONOCHLORIDE; NUGENT'S; Bis(cyclopentadienyl)titanium(III) chloride; nugent's; NUGENT'S ISO 9001：2015 REACH; BIS(CYCLOPENTADIENYL)TITANIUM(III) CHLORIDE; MFCD07368650; titanocene(III) chloride

物化性质

• 分子式: C₁₀H₁₀ClTi
• 分子量: 213.50600
• 精确质量: 212.99500
• LogP: 2.73250
• 储存条件:

  密封干燥保存。

• 稳定性:

  遵照规定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

  5、 极化率：无可用

• 更多:

  1. 性状：绿色固体

  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）：无可用

  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

MSDS

Name: Bis(cyclopentadienyl)titanium(III) chloride Material Safety Data Sheet Synonym: Titanocene monochloride; Nugent's reagen CAS: 60955-54-6 Section 1 - Chemical Product MSDS Name:Bis(cyclopentadienyl)titanium(III) chloride Material Safety Data Sheet Synonym:Titanocene monochloride; Nugent's reagen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 60955-54-6 Bis(cyclopentadienyl)titanium(III) chl unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Corrosives area. Store protected from light. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 60955-54-6: 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: Powder Color: green - brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: reacts Specific Gravity/Density: Molecular Formula: C10H10ClTi Molecular Weight: 213.52 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Moisture sensitive. Light sensitive. Conditions to Avoid: Incompatible materials, light, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, titanium/titanium oxides. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 60955-54-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Bis(cyclopentadienyl)titanium(III) chloride - 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: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: II IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: II RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 60955-54-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 60955-54-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 60955-54-6 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): 34-29
• 安全声明 (欧洲): 8-45-36/37/39-26

制备

通过三氯化钛与环戊二烯基铊反应制备而来，或者将二氯二茂钛用金属锌在THF溶液中还原也能制备出Nugent试剂。