1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium (0) dimer

物化性质

熔点：

>300ºC

存储条件/存储方法：

密闭，阴凉，干燥处

稳定性相关：

按规定使用和贮存不会分解，避氧化物、空气

其它信息：

1. 性状：红棕色固体

2. 密度（g/mL20 ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：>300

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC0.35mmHg）：未确定

7. 折射率：未确定

8. 闪点（ºC）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定

安全信息

熔点：

>300ºC

存储条件/存储方法：

密闭，阴凉，干燥处

稳定性相关：

按规定使用和贮存不会分解，避氧化物、空气

其它信息：

1. 性状：红棕色固体

2. 密度（g/mL20 ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：>300

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC0.35mmHg）：未确定

7. 折射率：未确定

8. 闪点（ºC）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定

MSDS

Section 1: Product Identification
Chemical Name:1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium(0) dimer, 96%
CAS Registry Number:467220-49-1
Formula:[(C21H24N2)(C10H6O2)Pd]2
EINECS Number:none
Chemical Family:organometallic complex
Synonym:none
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound467220-49-1100%no datano data
Section 3: Hazards Identification
Emergency Overview:Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: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 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.
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.
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion andIf involved in a fire this material may emit irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.
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. Handle and store 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:orange-red powder
Molecular Weight:1138
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:prolonged contact with air
Incompatibility:strong oxidizing agents
Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides, palladium oxides 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 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

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:8

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积81.2

7.重原子数量:72

8.表面电荷:0

9.复杂度:663

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:4