1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 基本信息

中文名称:
1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 
中文别名:
1,1'-双(二异丙基膦)二茂铁(1,5-环辛二烯)RHODIUM (I) TETRAFLUOROBORATE;
1,1'-双(二异丙基膦)二茂铁(1,5-环辛二烯)铑 
英文名称:
Rhodium(1+),[1,1'-bis[bis(1-methylethyl)phosphino-kP]ferrocene][(1,2,5,6-h)-1,5-cyclooctadiene]- (9CI)
英文别名:
(1Z,5Z)-cycloocta-1,5-diene,cyclopentyl-di(propan-2-yl)phosphane,iron,rhodium,tetrafluoroborate;
1,1'-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate;
1,1'-BIS(DI-ISOPROPYLPHOSPHINO)FERROCENE(1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE;
[RH COD DIPFC]BF4 
CAS No.:
157772-65-1
分 子 式:
C30H48FeP2Rh
分 子 量:
716.20
精确分子量:
716.16600
PSA:
27.18000
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
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1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 物化性质

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

1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 安全信息

危险类别码:
36/37/38
安全说明:
26-36/37/39

1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 毒理性

生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate MSDS


Section 1: Product Identification
   Chemical Name:       1,1'-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium (I) tetrafluoroborate, min. 98%    
   CAS Registry Number:       157772-65-1    
   Formula:       [[(C3H7)2PC5H4]2Fe](C8H12)Rh+BF4-    
   EINECS Number:       none    
   Chemical Family:       Organophosphine complex    
   Synonym:       1,1'-Bis(di-i-propylphosphanyl)ferrocene(1,5-cyclooctadiene) rhodium (I) tetrafluoroborate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       157772-65-1       100%       2.5mg/m3 (as F)       2.5mg/m3 (as F)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, skin    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to skin, eyes and respiratory tract.    
   Ingestion:       No information on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       There is no information on the effects of long-term exposure.    
   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:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes, and corrosive fumes of hydrofluoric and    
   Decomposion Products:       phosphoric acids.    
   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 powdered sodium bicarbonate, lime, or calcium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container. Keep away from heat and direct sunlight. Prolonged exposure to air may
   Handling and Storage:
   result in the degradation of the product.

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:       Material may form a fine dust. If possible, 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:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       orange-brown pwdr.    
   Molecular Weight:       716.21    
   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:       oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, phosphorus pentoxide, hydrofluoric acid, 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 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

1,1-Bis(di-i-propylphosphino)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 分子结构与计算化学数据

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):无

2.氢键供体数量:0

3.氢键受体数量:5

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:-1

9.复杂度:207

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:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:6

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