六氟-2,4-乙酰丙酮钕(III)二水合物 | 47814-18-6

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 六氟-2,4-乙酰丙酮钕(III)二水合物
• 英文名称: 1,1,1,5,5,5-hexafluoropentane-2,4-dione;neodymium
• CAS: 47814-18-6
• 化学式: C15H6F18NdO6
• 分子量: 768.42
• InChiKey: JYDNCQZPYLAOFO-UHFFFAOYSA-N

物化性质

• 熔点：
  141-142°C
• 沸点：
  195-205°C
• 稳定性/保质期：
  如果按照规格使用和储存，则不会发生分解，没有已知的危险反应。该物质溶于乙醚和甲醇。文献报道其三水合物为淡紫色晶体，熔点在115～121℃（分解）。

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  24

安全信息

• TSCA：
  No
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38

SDS

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Section 1: Product Identification
Chemical Name: Neodymium (III) hexafluoroacetylacetonate dihydrate (99.9%-Nd) (REO)
CAS Registry Number: 47814-18-6
Formula: Nd(CF3COCHCOCF3)3.2H2O
EINECS Number: none
Chemical Family: metal fluorobeta-diketonate complexes
Synonym: Tris-hexafluoroacetylacetonate)neodymium; tris(1,1,1,5,5,5-hexafluoro-2,4-pentandionato)neodymium

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 47814-18-6 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

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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

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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.

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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.

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

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

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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.

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SECTION 9: Physical and Chemical Properties
Color and Form: purple xtl.
Molecular Weight: 765.39 (801.42)
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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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.

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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

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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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

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

将化学计量的六氟乙酰丙酮溶于适量的乙醚中，滴加氨水并搅拌，以生成六氟乙酰丙酮铵。注意不要过量添加氨水。

在制得的六氟乙酰丙酮铵乙醚溶液中，加入计算量的氯化钕水溶液，并搅拌使其反应。生成的六氟乙酰丙酮钕螯合物会被提取到醚层中。分出醚层后，用无水硫酸钠干燥并蒸去乙醚，以得到六氟乙酰丙酮钕粗产品。该产品可通过水-甲醇（9∶1）混合溶剂或苯重结晶进行纯化。

制得的产品可能是二水合或三水合六氟乙酰丙酮钕。如果在P2O5存在下于27Pa (0.02mmHg)压力下干燥七十二小时，可以得到无水产品。然而，无水产品在空气中放置一段时间后会吸收潮气，重新形成水合物。

合成制备方法

此过程与“制备方法”中的步骤相同：

1. 将化学计量的六氟乙酰丙酮溶于适量的乙醚中。
2. 滴加氨水并搅拌以生成六氟乙酰丙酮铵，注意不要过量添加氨水。
3. 在制得的六氟乙酰丙酮铵乙醚溶液中加入计算量的氯化钕水溶液，并使其反应。
4. 生成的六氟乙酰丙酮钕螯合物会被提取到醚层中。分出醚层，用无水硫酸钠干燥并蒸去乙醚以得到粗产品。
5. 可通过水-甲醇（9∶1）混合溶剂或苯重结晶进行纯化。
6. 所得产品可能是二水合或三水合六氟乙酰丙酮钕。若在P2O5存在下于27Pa (0.02mmHg)压力下干燥七十二小时，可得到无水产品。但该无水产品在空气中放置一段时间后会吸收潮气形成水合物。

用途简介

（此部分内容为空）