三(异丙基环戊二烯)镨(III)

三(异丙基环戊二烯)镨(III) 基本信息
CAS号 69021-86-9 分子式 C27H41
分子量 365.61400 精确质量  365.32100
PSA  0.00000 LogP  7.99170

基本信息 展开↓

CAS号:
69021-86-9
分子式:
C27H41
分子量:
365.61400
中文名称:
三(异丙基环戊二烯)镨(III)
英文名称:
praseodymium,5-propan-2-ylcyclopenta-1,3-diene
中文别名:
三(异丙基环戊二烯)镨(III);
三(异丙基环戊二烯)化镨(III)
英文别名:
praseodymium,5-propan-2-ylcyclopenta-1,3-diene;
TRIS(I-PROPYLCYCLOPENTADIENYL)PRASEODYMIUM;
TRIS(ISOPROPYLCYCLOPENTADIENYL)PRASEODYMIUM(III);
Tris(isopropylcyclopentadienyl)praseodymium;
TrisipropylcyclopentadienylpraseodymiumREOlightgreenx;
TRIS(ISOPROPYLCYCLOPENTADIENYL)PRASEODY&;
TRIS(I-PROPYLCYCLOPENTADIENYL)PRASEODYMIUM(99.9%-PR)(REO);
TRIS(I-PROPYLCYCLOPENTADIENYL)PRASEODYMIUM: 99.9% (REO);
Tris(isopropylcyclopentadienyl)praseodymium(III), 99.9% (REO)
精确分子量/精确质量:
365.32100
极性分子表面积/PSA:
0.00000
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:
MFCD00145484

物化性质展开↓

熔点:
50-54ºC
沸点:
127.2ºC at 760 mmHg
闪点:
68ºC
其它信息:

1.       性状:。

2.       密度(g/mL,25/4):

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):

5.       沸点(ºC,常压):

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:。

安全信息展开↓

包装等级:
III
风险类别:
4.1
危险类别码:
R11
安全说明:
S16-S43
安全标志:
S16:远离火源。
S43:灭火时使用...(某种合适的灭火装置名称)。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tris(i-propylcyclopentadienyl)praseodymium (99.9%-Pr) (REO)    
   CAS Registry Number:       69021-86-9    
   Formula:       (C3H7C5H4)3Pr    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       tris(isopropyl-eta5-2,4-cyclopentadien-1-yl)praseodymium    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       69021-86-9       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   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 available on the effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available 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 in
   Inhalation:
   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:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide or dry powder    
   If this product is involved in a fire, firefighters should be equipped with 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.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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
   Store and handle the material under an inert atmosphere of dry nitrogen or argon. Keep away from heat, air
   Handling and Storage:
   and moisture.

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 appropriate chemical resistant gloves and protective clothing.    
   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 Respiratory
   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:       light green crystal    
   Molecular Weight:       462.44    
   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, moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       Air and Moisture    
   Incompatibility:       halogens and oxidizing agents    
   Decomposition Products:       carbon monoxide, carbon dioxide, praseodymium oxide, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data available    
   Mutagenic Effects:       no data available    
   Tetratogenic Effects:       no data available    

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

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:3

4.可旋转化学键数量:3

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:25

8.表面电荷:-3

9.复杂度:58.4

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:4

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便