三(乙腈)五甲基环戊二烯基三氟甲磺酸钌(II)

三(乙腈)五甲基环戊二烯基三氟甲磺酸钌(II) 基本信息
CAS号 113860-02-9 分子式 C17H24F3N3O3RuS-
分子量 508.52100 精确质量  509.05300
PSA  136.95000 LogP  5.69384

基本信息 展开↓

CAS号:
113860-02-9
3D弹球模型:
立即前往扯扯看
分子式:
C17H24F3N3O3RuS-
分子量:
508.52100
中文名称:
三(乙腈)五甲基环戊二烯基三氟甲磺酸钌(II)
英文名称:
acetonitrile,1,2,3,4,5-pentamethylcyclopentane,ruthenium,trifluoromethanesulfonate
中文别名:
三(乙腈)五甲基环戊二烯基三氟甲磺酸钌(II)
英文别名:
acetonitrile,1,2,3,4,5-pentamethylcyclopentane,ruthenium,trifluoromethanesulfonate;
TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM (II) TRIFLUOROMETHANESULFONATE;
TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM (II) TRIFLUOROMETHANESULFONATE, MIN. 98%;
Tris(acetonitrile)pentamethylcyclopentadienylruthenium(II)trifluoromethanesulfonate,min.98%;
Tris(acetonitrile)pentaMethylcyclopentadienylrutheniuM(II) trifluoroMethanesulfonate,98%
精确分子量/精确质量:
509.05300
极性分子表面积/PSA:
136.95000
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:
The Key: UVOBJUKECQFRNA-UHFFFAOYSA-M

物化性质展开↓

存储条件/存储方法:

 

 密闭于阴凉干燥环境中

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

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
S26

合成路线查看所有的合成路线

  • 126821-58-7

    [Ru(C5Me5)(μ3-Cl)]4

  • +

  • 2923-28-6

    三氟甲烷磺酸银

  • +

  • 75-05-8

    乙腈

  • ~96%

  • 113860-02-9

    三(乙腈)五甲基环戊二烯基三氟甲磺酸钌(II)

  • 126821-58-7

    [Ru(C5Me5)(μ3-Cl)]4

  • ~93%

  • 113860-02-9

    三(乙腈)五甲基环戊二烯基三氟甲磺酸钌(II)

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
   Chemical Name:       Tris(acetonitrile)pentamethylcyclopentadienylruthenium (II) trifluoromethanesulfonate, min. 98%    
   CAS Registry Number:       113860-02-9    
   Formula:       [Ru(C10H15)(CH3CN)3]+CF3SO3-    
   EINECS Number:       none    
   Chemical Family:       organometallic complex    
   Synonym:       pentamethylcyclopentadienyl-tris(acetonitrile)ruthenium (II) trifluoromethanesulfonate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       113860-02-9       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Causes irritation of the eyes.    
   Skin Contact:       Causes 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:       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:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   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 and       If involved in a fire, this material may emit toxic 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
   The material will degrade on prolonged exposure to air. Store cold. 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:       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 powder    
   Molecular Weight:       508.52    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       hygroscopic    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive (store cold)    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       Contact with air. This material may degrade on prolonged exposure to air and moisture.    
   Incompatibility:       oxidizing agents, halogens and active metals.    
   Decomposition Products:       carbon monoxide, carbon dioxide, organic fumes, phosphorous pentoxide and 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):6.8

2.氢键供体数量:6

3.氢键受体数量:13

4.可旋转化学键数量:7

5.互变异构体数量:795

6.拓扑分子极性表面积219

7.重原子数量:61

8.表面电荷:0

9.复杂度:1650

10.同位素原子数量:0

11.确定原子立构中心数量:9

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:3

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多
  • 126821-58-7

    [Ru(C5Me5)(μ3-Cl)]4

  • 2923-28-6

    三氟甲烷磺酸银

  • 75-05-8

    乙腈

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便