六氟-2,4-乙酰丙酮镨(III)

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

六氟-2,4-乙酰丙酮镨(III) 基本信息

中文名称:
六氟-2,4-乙酰丙酮镨(III) 
中文别名:
六氟-2,4-乙酰丙酮镨(III) 
英文名称:
Praseodymium(III) hexafluoro-2,4-pentanedionate
英文别名:
PRASEODYMIUM HEXAFLUOROACETYLACETONATE;
PRASEODYMIUM HEXAFLUOROPENTANEDIONATE;
PRASEODYMIUM(III) HEXAFLUORO 2,4-PENTANEDIONATE;
PRAESODYMIUM HEXAFLUOROACETYLACETONATE;
PRASEODYMIUM(III) HEXAFLUOROACETYLACETONATE;
Praseodymium(III)hexafluoroacetylacetonate(-Pr)(REO) 
CAS No.:
47814-20-0
分 子 式:
C15H3F18O6Pr
分 子 量:
762.06
精确分子量:
633.97200
PSA:
78.90000
MDL:
MFCD00058835
风险术语:
R36/37/38
分子结构式:
SDS:
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六氟-2,4-乙酰丙酮镨(III) 制备方法及用途

制备方法

将计算量的六氟乙酰丙酮铵的乙醚溶液与氯化镨的水溶液混合并搅拌。镨离子与六氟乙酰丙酮生成螯合物。该螯合物被提取到乙醚层中。乙醚溶液用无水硫酸钠干燥后,蒸去乙醚,得到固体粗产物六氟乙酰丙酮镨。可用水-甲醇(9∶1)混合溶剂重结晶纯化。也可在180℃和66.68Pa压力下进行减压升华纯化。以上条件下得到的产品不能肯定是无水物还是三水合物。若将上述产品在P2O5存在下,于室温及2.67Pa压力下干燥72h,可得到无水的六氟乙酰丙酮镨。无水螯合物在空气中放置短时间,就吸收潮气转变为水合物。

合成制备方法

将计算量的六氟乙酰丙酮铵的乙醚溶液与氯化镨的水溶液混合并搅拌。镨离子与六氟乙酰丙酮生成螯合物。该螯合物被提取到乙醚层中。乙醚溶液用无水硫酸钠干燥后,蒸去乙醚,得到固体粗产物六氟乙酰丙酮镨。可用水-甲醇(9∶1)混合溶剂重结晶纯化。也可在180℃和66.68Pa压力下进行减压升华纯化。以上条件下得到的产品不能肯定是无水物还是三水合物。若将上述产品在P2O5存在下,于室温及2.67Pa压力下干燥72h,可得到无水的六氟乙酰丙酮镨。无水螯合物在空气中放置短时间,就吸收潮气转变为水合物。

用途简介

六氟-2,4-乙酰丙酮镨(III) 物化性质

熔点:
114.5-127.7ºC(lit.)
沸点:
70ºC at 760mmHg
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

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应。溶于乙醚、甲醇中。

其它信息:

1.       性状:淡绿色晶体,易吸潮。

2.       密度(g/mL,25ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):148~151

5.       沸点(ºC):未确定

6.       沸点(ºC,3mm hg):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(ºC):未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,20ºC):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

六氟-2,4-乙酰丙酮镨(III) 安全信息

危险类别码:
36/37/38
安全说明:
26-36
危险标志:
Xi

六氟-2,4-乙酰丙酮镨(III) 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

六氟-2,4-乙酰丙酮镨(III) MSDS


Section 1: Product Identification
   Chemical Name:       Praseodymium (III) hexafluoroacetylacetonate (99.9%-Pr) (REO)    
   CAS Registry Number:       47814-20-0    
   Formula:       Pr(CF3COCHCOCF3)3    
   EINECS Number:       none    
   Chemical Family:       metal fluorobeta-diketonate complexes    
   Synonym:       Tris-hexafluoroacetylacetonate)praseodymium; tris(1,1,1,5,5,5-hexafluoro-2,4-pentandionato)praseodymium    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       47814-20-0       100%       2.5mg/m3 (as F)       2.5mg/m3 (as F)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   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 the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
   Chronic Health Affects:       fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure, kidney and liver damage.
   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, dry powder or foam.    
   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 and corrosive fumes of hydrogen fluoride    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry place in a tightly sealed container.    

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 powder    
   Molecular Weight:       762.06    
   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 and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon monoxide, praseodymium salts, hydrogen fluoride, carbonyl fluoride 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

六氟-2,4-乙酰丙酮镨(III) 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):未确定

2、   氢键供体数量:0

3、   氢键受体数量:24

4、   可旋转化学键数量:6

5、   互变异构体数量:4

6、   拓扑分子极性表面积(TPSA):102

7、   重原子数量:40

8、   表面电荷:0

9、   复杂度:200

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

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产品名称:六氟-2,4-乙酰丙酮镨(III)(47814-20-0) Cas号:47814-20-0 纯度:99% 包装信息:1kg,25kg,50kg,200kg,500kg 价格:1.0元 - 10.0元
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产品名称:六氟-2,4-乙酰丙酮镨 Cas号:47814-20-0 纯度: 包装信息:洽谈 价格:洽谈
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产品名称:六氟-2,4-乙酰丙酮镨(III) Cas号:47814-20-0 纯度: 包装信息:洽谈 价格:洽谈
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