benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium,tricyclohexylphosphane

物化性质

外观与性状：

粉红色-棕色至红色-紫色晶体或粉末

熔点：

143-149ºC

稳定性相关：

该试剂对空气和湿气较稳定,即使放置在空气中也不会分解，其催化活性也不受到溶剂中的空气、水蒸气以及痕量杂质的影响。

其它信息：

1.性状：紫红色粉末状固体

2..熔点（℃）：143.5~148.5

3.溶解性：易溶于有机溶剂，通常在CH₂Cl₂、苯或者甲苯的溶液中使用。

安全信息

外观与性状：

粉红色-棕色至红色-紫色晶体或粉末

熔点：

143-149ºC

稳定性相关：

该试剂对空气和湿气较稳定,即使放置在空气中也不会分解，其催化活性也不受到溶剂中的空气、水蒸气以及痕量杂质的影响。

其它信息：

1.性状：紫红色粉末状固体

2..熔点（℃）：143.5~148.5

3.溶解性：易溶于有机溶剂，通常在CH₂Cl₂、苯或者甲苯的溶液中使用。

MSDS

Name:	Grubb s second generation catalyst 97% Material Safety Data Sheet
Synonym:
CAS:	246047-72-3

Section 1 - Chemical Product   MSDS Name:Grubb s second generation catalyst 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
246047-72-3	Grubb's second generation catalyst	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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 water spray, dry chemical, carbon dioxide, or chemical foam.
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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use and store under nitrogen.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under nitrogen.
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# 246047-72-3: 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: Crystals
Color: pink to 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C46H65Cl2N2PRu
Molecular Weight: 848.99
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Oxidizing agents, halogens, active metals.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrocarbons, ruthenium oxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 246047-72-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Grubb's second generation catalyst - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 246047-72-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 246047-72-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 246047-72-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

计算化学数据

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:2

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积6.5

7.重原子数量:52

8.表面电荷:0

9.复杂度:927

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:2