[1,3-二(2,4,6-三甲苯基)-2-咪唑烷亚基]-[2-[[(4-甲基苯基)亚氨基]甲基]-4-硝基苯酚基]-[3-苯基-1H-茚-1-亚基]钌(II)氯化

[1,3-二(2,4,6-三甲苯基)-2-咪唑烷亚基]-[2-[[(4-甲基苯基)亚氨基]甲基]-4-硝基苯酚基]-[3-苯基-1H-茚-1-亚基]钌(II)氯化 基本信息
CAS号 934538-04-2 分子式 C50H47ClN4O3Ru
分子量 888.45600 精确质量  888.23800
PSA  108.27000 LogP  8.06990

基本信息 展开↓

CAS号:
934538-04-2
分子式:
C50H47ClN4O3Ru
分子量:
888.45600
中文名称:
[1,3-二(2,4,6-三甲苯基)-2-咪唑烷亚基]-[2-[[(4-甲基苯基)亚氨基]甲基]-4-硝基苯酚基]-[3-苯基-1H-茚-1-亚基]钌(II)氯化
英文名称:
Chloro(1,3-dimesityl-2-imidazolidinylidene)(2-{(E)-[(4-methylphen yl)imino]methyl}-4-nitrophenolato-κO)(3-phenyl-1H-inden-1-ylidene )ruthenium
中文别名:
[1,3-二(2,4,6-三甲苯基)-2-咪唑烷亚基]-[2-[[(4-甲基苯基)亚氨基]甲基]-4-硝基苯酚基]-[3-苯基-1H-茚-1-亚基]钌(II)氯化;
Chloro(1,3-dimesityl-2-imidazolidinylidene)(2-{(E)-[(4-methylphen yl)imino]methyl}-4-nitrophenolato-κO)(3-phenyl-1H-inden-1-ylidene )ruthenium
英文别名:
Chloro(1,3-dimesityl-2-imidazolidinylidene)(2-{(E)-[(4-methylphen yl)imino]methyl}-4-nitrophenolato-κO)(3-phenyl-1H-inden-1-ylidene )ruthenium;
1,3-BIS(MESITYL)-2-IMIDAZOLIDINYLIDENE]-[2-[[(4-METHYLPHENYL)IMINO]METHYL]-4-NITRO-PHENOLYL]-[3-PHEN;
1,3-BIS(MESITYL)-2-IMIDAZOLIDINYLIDENE]-[2-[[(4-METHYLPHENYL)IMINO]METHYL]-4-NITRO-PHENOLYL]-[3-PHENYL-INDENYLIDEN]RUTHENIUMCHLORIDE;
[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]-[2-[[(4-methylphenyl)imino]methyl]-4-nitrophenolyl]-[3-phenyl-1H-inden-1-ylidene]ruthenium(II) chloride
精确分子量/精确质量:
888.23800
极性分子表面积/PSA:
108.27000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1S/C21H26N2.C15H10.C14H12N2O3.ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-10-2-4-12(5-3-10)15-9-11-8-13(16(18)19)6-7-14(11)17;;/h9-12H,7-8H2,1-6H3;1-9,11H;2-9,17H,1H3;1H;

物化性质展开↓

存储条件/存储方法:

 

 密封于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

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

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]-[2-[[(4-methylphenyl)imino]methyl]-4-nitrophenolyl]-[3-ph
   Chemical Name:
   enyl-1H-inden-1-ylidene]ruthenium(II) chloride
   CAS Registry Number:       934538-04-2    
   Formula:       C50H47ClN4O3Ru    
   EINECS Number:       none    
   Chemical Family:       organometallic complex    
   Synonym:       Neolyst M41    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       934538-04-2       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available 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 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:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder 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 and       If involved in a fire this material may emit irritating fumes.    
   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
   Handling and Storage:       Store in a tightly sealed container. Keep in a cool, dry, well ventilated place.    

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:       orange-brown solid    
   Molecular Weight:       888.46    
   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 and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents, halogens and active metals    
   Decomposition Products:       carbon monoxide, carbon dioxide, organic fumes, ruthenium oxide    

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

分子结构与计算化学数据展开↓

分子结构数据


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

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

2.氢键供体数量:1

3.氢键受体数量:5

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74.9

7.重原子数量:21

8.表面电荷:0

9.复杂度:455

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便