37473-67-9

• 常用中文名：三氟乙酰丙酮钕(III)
• 常用英文名：neodymium trifluoroacetylacetonate
• CAS号：37473-67-9
• 分子式：C₁₅H₁₂F₉NdO₆
• 分子量：603.47800
• 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：2019-01-03 16:29:22
• 更新时间：2024-01-13 16:58:46

名称

• 中文名: 1,1,1-三氟乙酰丙酮钕(III)
• 英文名: neodymium(3+),1,1,1-trifluoro-4-oxopent-2-en-2-olate
• 英文别名: MFCD00058831; 1,1,1-trifluoro-4-oxo-2-penten-2-olate; Neodymium trifluoroacetylacetonate

物化性质

• 沸点: 195.6ºC at 760 mmHg
• 熔点: 140ºC
• 分子式: C₁₅H₁₂F₉NdO₆
• 分子量: 603.47800
• 闪点: 72.1ºC
• 精确质量: 600.95700
• PSA: 78.90000
• LogP: 4.50750
• 外观性状: crystal | bluish-pink
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  规情况下不会分解，没有危险反映。易溶于甲醇，溶于苯。

• 计算化学:

  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:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积40.1

  7.重原子数量:11

  8.表面电荷:2

  9.复杂度:168

  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:1

  15.共价键单元数量:2

• 更多:

  1. 性状：蓝-粉红色晶体。

  2. 密度（g/mL,20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：147～149

  5. 沸点（ºC,14mm hg）： 未确定

  6. 沸点（ºC,91kPa）：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：不能溶解的

MSDS

Section 1: Product Identification Chemical Name:Neodymium (III) trifluoroacetylacetonate (99.9%-Nd) CAS Registry Number:37473-67-9 Formula:Nd(CF3COCHCOCH3)3 EINECS Number:none Chemical Family:metal fluorobeta-diketonate complexes Synonym:Bis(trifluoroacetylacetonate)neodymium, Bis(1,1,1-trifluoro-2,4-pentandionato)neodymium (III) Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound37473-67-9100%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 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 powdered sodium carbonate or ground limestone 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:bluish-pink xtl. Molecular Weight:603.48 Melting Point:140-142° 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, neodymium 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: 通常来说对水是无害的，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

制备

将按反应摩尔比计算的三氟乙酰丙酮铵盐的水溶液加到氯化钕的水溶液中去，搅拌，反应液应对石蕊试纸显中性。得到螯合物三氟乙酰丙酮钕沉淀后，滤出，用水洗。置于空气中干燥得粗产品。可用苯重结晶，得到纯的三氟乙酰丙酮钕二水合物。

上述产品在五氧化二磷存在下，于室温高真空条件下长时间处理(约70h)可得无水的三氟乙酰丙酮钕。