乙酸钆(III)四水合物 | 15280-53-2

• 物质功能分类: 无机化工 - 无机盐
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 乙酸钆(III)四水合物
• 中文别名: 四水醋酸钆；醋酸钆水合物；醋酸镉四水合物；醋酸镉
• 英文名称: Gadolinium(3+);triacetate;tetrahydrate
• CAS: 15280-53-2
• 化学式: C6H17GdO10
• 分子量: 406.4
• InChiKey: ZPKMIURLGRBLPQ-UHFFFAOYSA-K

物化性质

• 沸点：
  decomposes [ALF95]
• 密度：
  1,611 g/cm3
• 溶解度：
  溶于H2O

计算性质

• 辛醇/水分配系数(LogP)：
  -7.03
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  10

安全信息

• TSCA：
  No
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38

SDS

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Section 1: Product Identification
Chemical Name: Gadolinium (III) acetate tetrahydrate (99.9%-Gd) (REO)
CAS Registry Number: 15280-53-2
Formula: Gd(OOCCH3)3.4H2O
EINECS Number: none
Chemical Family: metal acetate salt
Synonym: Acetic acid, gadolinium(+3) salt, hydrate

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 15280-53-2 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
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. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
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
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Ingestion: Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic 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: 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 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 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 in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a 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: white xtl.
Molecular Weight: 334.38 (406.45)
Melting Point: no data
Boiling Point: no data
Vapor Pressure: not applicable
Specific Gravity: 1.611
Odor: none
Solubility in Water:

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable solid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: Oxidizing agents and active metals
Decomposition Products: Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.

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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

合成

一种流程简单的醋酸钆合成方法，具体步骤如下：

1. 取35~45ml分析纯的冰醋酸与0.0008~0.0012mol的氧化钆放入反应器中，搅拌均匀并在60~120℃下进行回流，至反应溶液透明；
2. 量取5.0~7.0ml的去离子水加入到反应液中，继续在60~120℃下搅拌至溶液透明；
3. 反应完全后，停止加热。将反应液用旋转蒸发仪蒸发至液体消失，然后在真空干燥条件下干燥得到白色粉末产品醋酸钆。蒸馏出的醋酸溶液可以回收套用。

与现有技术相比，该方法具有以下优势：蒸馏出的醋酸可回收再利用；干燥过程中无需其他干燥剂；工艺流程简单且环保，醋酸消耗少，产品收率和纯度高，外观品质优良，从而显著提升了产品的经济价值。此发明为工业化生产提供了一条可行的方法。

应用

醋酸钆在工业上有广泛的应用前景，如用于合金材料添加剂、化学试剂等。以下是一种具体应用实例：

一种掺杂钆的空心囊泡结构纳米复合材料，该复合材料以掺杂钆的二氧化硅空心囊泡为主体，在所述主体表面修饰光敏剂和带硅烷的聚乙二醇。在主体中，钆的摩尔数与二氧化硅的质量之比为0.8～1.5mmol：80～120mg；而在复合材料中，主体、光敏剂和带硅烷的聚乙二醇的重量比为40～50：0.5～1.6：30～50。实心球刻蚀成为空心球是一个表面催化反应。该复合材料以醋酸钆作为刻蚀剂，以实心二氧化硅微球作为硅源和硬模板，在高温下产生的二氧化碳（CO2）为软模板，通过一步合成过程得到空心囊泡微球，并通过修饰光敏剂赋予材料光动力学和光热性质。这种复合材料可用于制备造影剂或具有光动力学和光热治疗效果的功能材料。

反应信息

• 作为反应物：
  描述：

  、 乙酸钆(III)四水合物 、 1,8-双二甲氨基萘 在 silica gel 、 hexane chloroform 、 Gd 作用下， 以 chloroform methanol 为溶剂， 反应 24.0h， 以to give 14 mg (22%) of the Gd complex 7BFor 7BFAB MS (methanol/oxalic acid/glycerol matrix)的产率得到Methanol oxalic acid glycerol
  参考文献：
  名称：

  Aromatic pentadentate expanded porphyrins in magnetic resonance imaging

  摘要：

  本发明涉及一种新型三吡咯双甲基衍生物“扩展卟啉”（texaphyrin），以及这些化合物的合成、类似物或衍生物及其用途。这些类似于扩展卟啉的大环化合物是二价和三价金属离子的高效螯合剂。这些化合物的金属配合物作为光敏剂，能够产生单线态氧，因此有可能用于灭活或破坏人类免疫缺陷病毒（HIV-1）、单核或其他感染该病毒的细胞和肿瘤细胞。已经制备了各种texaphyrin衍生物，还有更多的衍生物可以轻松获得。本发明的texaphyrin和texaphyrin衍生物与各种金属（例如，过渡金属、主族金属和镧系金属）形成的配合物具有不寻常的水溶性和稳定性，因此它们特别有用。这些金属texaphyrin配合物具有光学性质，使它们与现有的类卟啉或其他大环化合物有所不同。例如，它们在生理条件下强烈吸收光线。本发明部分使用了国家科学基金会总统青年研究员奖（1986年）授予的J.L. Sessler，CHE-8552768号授予的拨款。政府对本发明拥有某些权利。

  公开号：

  US05256399A1