Zirconium(IV) hexafluoroacetylacetonate | 19530-02-0

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机锆
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Zirconium(IV) hexafluoroacetylacetonate
• 英文别名: (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;zirconium
• CAS: 19530-02-0
• 化学式: C20H8F24O8Zr
• 分子量: 923.5
• InChiKey: CCWHHGRRFFBJHC-ZVXPXTILSA-N

物化性质

• 熔点：
  41-43°C
• 沸点：
  225°C
• 闪点：
  225°C
• 稳定性/保质期：

  在常温常压下，该物质是稳定的。 需要避免与氧化物接触，并且该物质能溶解在苯、乙醚等有机溶剂中。

计算性质

• 辛醇/水分配系数(LogP)：
  8.49
• 重原子数：
  53
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  32

安全信息

• TSCA：
  No
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 危险品标志：
  Hygroscopic

SDS

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Section 1: Product Identification
Chemical Name: Zirconium (IV) hexafluoroacetylacetonate
CAS Registry Number: 19530-02-0
Formula: Zr(CF3COCHCOCF3)4
EINECS Number: none
Chemical Family: metal fluorobeta-diketonate complexes
Synonym: Zirconium hexafluoro 2,4-pentanedionate

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 19530-02-0 100% 5mg/m3 (as Zr) 5mg/m3 (as Zr)

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes, and respiratory tract.
Primary Routes of Exposure: Contact with skin and eyes. Inhalation of dust.
Eye Contact: Causes mild to moderate irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Dust is irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information is available 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: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, foam 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.
Hazardous Combustion and If involved in a fire this material may release toxic and corrosive fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Sweep up the solids and dispose of properly.

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SECTION 7: Handling and Storage
Handling and Storage: Store the material in a sealed container. Keep away from heat and moisture.

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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 protective clothing and gloves.
Ventilation: 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: 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: white to off-white xtl.
Molecular Weight: 919.47
Melting Point: 41-43°
Boiling Point: 225°C
Vapor Pressure: no data
Specific Gravity: no data
Odor: not determined
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: hygroscopic
Hazardous Polymerization: No hazardous polymerization.
Conditions to Avoid: none
Incompatibility: strong oxidizing agents
Decomposition Products: hydrogen fluoride, organic fumes, carbon monoxide, carbon dioxide and zirconium oxide.

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

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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

将六氟乙酰丙酮铵（由六氟乙酰丙酮与氨水反应制得）溶解在适量的乙醚中，然后加入氯化锆水溶液并搅拌。在此过程中生成的锆离子螯合物会进入乙醚层，分离出该层，并用无水硫酸钠干燥后蒸去乙醚，最终得到六氟乙酰丙酮锆产品。此产物可通过水-甲醇（9∶1）混合溶剂进行重结晶。

合成制备方法

将六氟乙酰丙酮铵（由六氟乙酰丙酮与氨水反应制得）溶解在适量的乙醚中，加入氯化锆水溶液并搅拌。生成的锆离子螯合物会进入乙醚层，分离出该层，并用无水硫酸钠干燥后蒸去乙醚，最终得到六氟乙酰丙酮锆产品。此产物可通过水-甲醇（9∶1）混合溶剂进行重结晶。

用途简介

此处未提供具体用途信息。