四(乙腈)四氟硼酸钯(II)

四(乙腈)四氟硼酸钯(II) 基本信息
CAS号 21797-13-7 分子式 C8H12B2F8N4Pd
分子量 444.23700 精确质量  444.01600
PSA  95.16000 LogP  4.71952

基本信息 展开↓

CAS号:
21797-13-7
3D弹球模型:
立即前往扯扯看
分子式:
C8H12B2F8N4Pd
分子量:
444.23700
中文名称:
四(乙腈)四氟硼酸钯(II)
英文名称:
acetonitrile,palladium(2+),ditetrafluoroborate
中文别名:
四(乙腈)四氟硼酸钯(II);
四乙腈四氟硼酸钯
英文别名:
acetonitrile,palladium(2+),ditetrafluoroborate;
[Pd(MeCN)4](tetrafluoroborate)2;
[Pd(CH3CN)4][BF4]2;
ditetrafluoroborate;
Palladium(II) tetrafluoroborate tetraacetonitrile complex;
[Pd(MeCN)4](BF4)2;
[Pd(NCMe)4][BF4]2;
[Pd(acetonitrile)4](BF4)2;
[(MeCN)4Pd][BF4]2
精确分子量/精确质量:
444.01600
极性分子表面积/PSA:
95.16000
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。
贝尔斯坦号/MDL:
MFCD00043297
PubChem:
24860675
InChI:
The Key: YAGNCQQWCDIAJQ-UHFFFAOYSA-N

物化性质展开↓

熔点:
230ºC
存储条件/存储方法:

2-8

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物,空气

其它信息:

1. 性状:黄色粉末

2. 密度(g/mL,25/4):未确定

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC  ):230

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa): 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,25ºC): 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

安全信息展开↓

安全说明:
S22-S38-S36/37/39
安全标志:
S22:不要吸入粉尘。
S38:在通风不良的场所,佩戴合适的呼吸装置。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 429-42-5

    四丁基四氟硼酸铵

  • +

  • 3375-31-3

    醋酸钯

  • +

  • 75-05-8

    乙腈

  • ~57%

  • 21797-13-7

    四(乙腈)四氟硼酸钯(II)

毒理性展开↓

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: Tetrakis(acetonitrile)palladium(II) tetrafluoroborate Material Safety Data Sheet
Synonym:
CAS: 21797-13-7
Section 1 - Chemical Product   MSDS Name:Tetrakis(acetonitrile)palladium(II) tetrafluoroborate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21797-13-7 Tetrakis(acetonitrile)palladium(II) te unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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 nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 21797-13-7: 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: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 230 deg C (dec.)
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C8H12B2F8N4Pd
Molecular Weight: 444.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, boron oxides.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 21797-13-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tetrakis(acetonitrile)palladium(II) tetrafluoroborate - 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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 21797-13-7: 2
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21797-13-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21797-13-7 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:14

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积95.2

7.重原子数量:23

8.表面电荷:0

9.复杂度:48.4

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:7

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  • 429-42-5

    四丁基四氟硼酸铵

  • 3375-31-3

    醋酸钯

  • 75-05-8

    乙腈

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