863971-63-5

• 常用中文名：羰基氢化[6-(二叔丁基膦基亚甲基)-2-(N,N-二乙基氨基甲基)-1,6-二氢吡啶]钌(II)
• 常用英文名：CARBONYLHYDRIDO[6-(DI-T-BUTYLPHOSPHINOMETHYLENE)-2-(N,N-DIETHYLAMINOMETHYL)-1,6-DIHYDROPYRIDINE]RUTHENIUM(II)
• CAS号：863971-63-5
• 分子式：C₂₀H₃₅N₂OPRu
• 分子量：451.54800
• 发布时间：2019-01-01 13:02:38
• 更新时间：2024-01-09 22:45:33

名称

• 中文名: [6-(二叔丁基膦亚甲基)-2-(N,N-二乙基氨基甲基)-1,6-二氢吡啶]羰基氢化钌
• 英文名: Carbonylhydrido[6-(di-t-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II) Milstein Catalyst
• 中文别名: 米尔斯坦催化剂; 三(三苯基膦)羰基氢-[6]-2-(N-2-二乙胺基甲基咪唑)-1,6-二氢]盐(Ⅱ)
• 英文别名: Milstein Catalyst

物化性质

• 分子式: C₂₀H₃₅N₂OPRu
• 分子量: 451.54800
• 精确质量: 452.15300
• PSA: 21.76000
• LogP: 4.64480
• 储存条件:

  密封于阴凉干燥环境中

• 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

• 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:3

  4.可旋转化学键数量:7

  5.互变异构体数量:无

  6.拓扑分子极性表面积5.2

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:439

  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:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:4

• 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）：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

Section 1: Product Identification Carbonylhydrido[6-(di-t-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(I Chemical Name: I), min. 98% Milstein Catalyst CAS Registry Number:863971-63-5 Formula:C20H35N2OPRu EINECS Number:none Chemical Family:organometallic complex Carbonylhydrido[2-(N,N-diethylaminomethyl)-6-(di-t-butylphosphanomethylene)-1,6-dihydropyridine]ruthenium Synonym: (II), min. 98% Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound863971-63-5100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract Primary Routes of Exposure:Inhalation, skin, eyes Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes irritation to the skin Inhalation:Causes irritation 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:not applicable Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry chemical or foam 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 toxic organic fumes Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Handling and Storage:Store cold, in a tightly sealed container, under an inert atmosphere of nitrogen or argon. 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:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:red-black solid Molecular Weight:451.55 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 sensitive, store cold Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents, halogens and active metals Decomposition Products:carbon monoxide, carbon dioxide, ruthenium 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):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 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: 该物质对环境可能有危害，对水体应给予特别注意。

合成路线

863971-64-6 ~% 863971-63-5

文献：Zhang, Jing; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David Angewandte Chemie - International Edition, 2006 , vol. 45, # 7 p. 1113 - 1115

863971-64-6 ~% 863971-63-5 1333-74-0

文献：Zhang, Jing; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David Journal of the American Chemical Society, 2005 , vol. 127, # 31 p. 10840 - 10841

1448532-82-8 ~% 863971-63-5 100-52-7

文献：Huff, Chelsea A.; Kampf, Jeff W.; Sanford, Melanie S. Chemical Communications, 2013 , vol. 49, # 64 p. 7147 - 7149

1448532-81-7 ~% 863971-63-5 120-92-3

文献：Huff, Chelsea A.; Kampf, Jeff W.; Sanford, Melanie S. Chemical Communications, 2013 , vol. 49, # 64 p. 7147 - 7149

1382487-77-5 ~% 863971-63-5 1382487-79-7

文献：Huff, Chelsea A.; Kampf, Jeff W.; Sanford, Melanie S. Organometallics, 2012 , vol. 31, # 13 p. 4643 - 4645

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