776230-17-2

• 常用中文名：乙腈双[2-二苯基膦基-6-叔丁基吡啶]环戊二烯基六氟磷酸钌(II)
• 常用英文名：ACETONITRILEBIS[2-DIPHENYLPHOSPHINO-6-T-BUTYLPYRIDINE]CYCLOPENTADIENYLRUTHENIUM (II) HEXAFLUOROPHOSPHATE
• CAS号：776230-17-2
• 分子式：C₄₉H₅₂F₆N₃P₃Ru
• 分子量：990.93900
• 发布时间：2018-12-09 22:45:43
• 更新时间：2024-02-01 07:49:10

名称

• 中文名: 乙酰腈双[2-二苯基膦-6-叔丁基吡啶]环戊二烯钌(II)六氟磷酸盐
• 英文名: acetonitrile,(6-tert-butylpyridin-2-yl)-diphenylphosphane,cyclopentane,ruthenium(1+),hexafluorophosphate
• 英文别名: acetonitrilebis[2-diphenylphosphino-6-t-butylpyridine]cyclopentadienylruthenium(ii) hexafluorophosphate

物化性质

• 分子式: C₄₉H₅₂F₆N₃P₃Ru
• 分子量: 990.93900
• 精确质量: 991.23200
• PSA: 90.34000
• LogP: 13.20840
• 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）:2.4

  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:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积56.5

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:300

  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:1

• 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 Acetonitrilebis[2-diphenylphosphino-6-t-butylpyridine]cyclopentadienylruthenium (II) hexafluorophosphate, min. Chemical Name: 98% CAS Registry Number:776230-17-2 Formula:Ru(C5H5)(CH3CN)[C21H22NP]2+PF6- EINECS Number:none Chemical Family:metal phosphine complex Synonym:Acetonitrile-cyclopentadienyl-bis[2-diphenylphosphino-6-t-butyl pyridine]ruthenium (II) hexafluorophosphate Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound776230-17-2100%2.5mg/m3 (as F)2.5mg/m3 (as F) Section 3: Hazards Identification Emergency Overview:Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed. Primary Routes of Exposure:Inhalation, skin, eyes Eye Contact:Causes irritation of the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:Dust is irritating to the nose, mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract. May be harmful if swallowed. Chronic Health Affects:Prolonged exposure to hydrolysable fluorine compounds can cause deterioration of bone and tooth structure. 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 soap and water. Remove contaminated clothes if necessary. Seek medical Skin Exposure: assistance if 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:no data Autoignition Temperature:no data Explosion Limits:no data Extinguishing Medium:carbon dioxide, dry powder or foam If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained Special Fire Fighting Procedures: breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes, carbon monoxide and carbon dioxide. 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 air. Store and handle under an inert atmosphere of Handling and Storage: nitrogen or argon. Keep bottle tightly sealed and away from heat and direct sunlight. 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 microxtl. Molecular Weight:990.94 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air sensitive Hazardous Polymerization:No hazardous polymerization Conditions to Avoid:contact with air. This material may degrade on prolonged exposure to air. Incompatibility:strong oxidizing agents, air and halogens carbon monoxide, carbon dioxide, phosphorous pentoxide, ruthenium salts, organofluorides and organic Decomposition Products: 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 federal, state and local 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。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39