47814-20-0

• 常用中文名：六氟-2,4-乙酰丙酮镨(III)
• 常用英文名：1,1,1,5,5,5-hexafluoropentane-2,4-dione; praseodymium
• CAS号：47814-20-0
• 分子式：C₁₆H₄F₁₈O₆
• 分子量：634.17100
• 相关类别： 有机原料 有机金属类化合物 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 发布时间：2018-12-24 11:38:44
• 更新时间：2024-01-12 11:22:08

名称

• 中文名: 六氟-2,4-乙酰丙酮镨(III)
• 英文名: praseodymium hexafluoroacetylacetonate
• 英文别名: PRASEODYMIUM(III) HEXAFLUOROACETYLACETONATE; Praseodymium(III)hexafluoroacetylacetonate(-Pr)(REO); PRAESODYMIUM HEXAFLUOROACETYLACETONATE; MFCD00058835; PRASEODYMIUM HEXAFLUOROPENTANEDIONATE; PRASEODYMIUM(III) HEXAFLUORO 2,4-PENTANEDIONATE

物化性质

• 沸点: 70ºC at 760mmHg
• 熔点: 114.5-127.7ºC(lit.)
• 分子式: C₁₆H₄F₁₈O₆
• 分子量: 634.17100
• 精确质量: 633.97200
• PSA: 78.90000
• LogP: 6.05260
• 外观性状: Powder | light green
• 储存条件:

  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:

  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。

• 计算化学:

  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

• 更多:

  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

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 IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound47814-20-0100%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 andIf 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

毒性和生态

生态学数据: 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。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36
• WGK德国: 3

制备

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。