双(三环己基磷)钯(0)

双(三环己基磷)钯(0) 基本信息
CAS号 33309-88-5 分子式 C36H66P2Pd
分子量 667.27700 精确质量  666.36700
PSA  27.18000 LogP  12.93280

基本信息 展开↓

CAS号:
33309-88-5
3D弹球模型:
立即前往扯扯看
分子式:
C36H66P2Pd
分子量:
667.27700
中文名称:
双(三环己基磷)钯(0)
英文名称:
palladium,tricyclohexylphosphane
中文别名:
双(三环己基磷)钯(0);
双(三环己基膦)钯
英文别名:
palladium,tricyclohexylphosphane;
Bis(tricyclohexylphosphine)palladium(0)
精确分子量/精确质量:
666.36700
极性分子表面积/PSA:
27.18000
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: JGBZTJWQMWZVNX-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


1、作为催化剂,用于Suzuki、Kumada、Negishi, Buchwald等偶联反应中

用途简介


用途


1、   作为催化剂,用于SuzukiKumadaNegishi, Buchwald等偶联反应中

物化性质展开↓

外观与性状:
灰白色至淡绿色粉末
水溶解性:
不溶
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

其它信息:

1.         性状:白色晶体

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):未确定

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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:不溶于水

安全信息展开↓

危险类别码:
36/37/38
安全说明:
24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
T,Xi

合成路线查看所有的合成路线

  • 545401-38-5

    (Cy3P)2Pd(OAc)2

  • ~96%

  • 33309-88-5

    双(三环己基磷)钯(0)

  • 132940-02-4

    Pd(PCy3)2(H)(H2O)+BF4-

  • +

  • 143-66-8

    四苯硼钠

  • ~75%

  • 33309-88-5

    双(三环己基磷)钯(0)

  • 457949-29-0

    [PdBr(Ph)(1-adamantyl-di-tert-butylphosphine)]

  • +

  • 2622-14-2

    三环己基膦

  • ~1%

  • 33309-88-5

    双(三环己基磷)钯(0)

  • +

  • 668488-20-8

    (Cy3P)2Pd(Ph)Br

MSDS 展开↓

Name: Bis(tricyclohexylphosphine)palladium(0) Material Safety Data Sheet
Synonym:
CAS: 33309-88-5
Section 1 - Chemical Product   MSDS Name:Bis(tricyclohexylphosphine)palladium(0) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
33309-88-5 Bis(tricyclohexylphosphine)palladium(0 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.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 33309-88-5: 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: off-white
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: C36H66P2Pd
Molecular Weight: 667.28

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 33309-88-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bis(tricyclohexylphosphine)palladium(0) - 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# 33309-88-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33309-88-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33309-88-5 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展开↓

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:0

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0

7.重原子数量:39

8.表面电荷:0

9.复杂度:202

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:3

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