乙酰丙酮铈水合物 | 15653-01-7

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙酰丙酮铈水合物
• 中文别名: 乙酰基丙酮铈；乙酰基丙酮铈水合物；乙酰丙酮铈(III)水合物；乙酰丙酮铈
• 英文名称: Ce(acac)3
• 英文别名: [Ce(acetylacetonate)₃]；Tris(pentane-2,4-dionato-O,O')cerium；cerium(3+);(Z)-4-oxopent-2-en-2-olate
• CAS: 15653-01-7
• 化学式: C₁₅H₂₁CeO₆
• 分子量: 437.448
• InChiKey: PYPNFSVOZBISQN-LNTINUHCSA-K

物化性质

• 熔点：
  131-132°C
• 溶解度：
  极易溶于乙醇
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。极易溶于乙醇。遇水则会分解，生成 Ce(OH)₃。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• 副作用

纤维原性 - 引发组织损伤和纤维化（疤痕形成）。

Fibrogenic - Inducing tissue injury and fibrosis (scarring).

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• TSCA：
  No
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P262,P280,P305+P351+P338,P304+P340,P403+P233,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放在阴凉干燥处即可。

SDS

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Section 1: Product Identification
Chemical Name: Cerium (III) acetylacetonate,hydrate (99.9%-Ce) (REO)
CAS Registry Number: 15653-01-7
Formula: CeCH3COCHCOCH3)3.XH2O
EINECS Number: 239-720-7
Chemical Family: metal beta-diketonate complexes
Synonym: tris(pentane-2,4-dionato-O,O')cerium

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 15653-01-7 100% no data no data

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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.
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 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 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 and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic and corrosive fumes.
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 powdered sodium carbonate or ground limestone and swept up.

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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 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: tan powder
Molecular Weight: 437.44
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: oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, cerium oxide and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No specific information available on this product.
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

生产方法： 称取10.8克六水合硝酸铈（Ⅲ）（物质的量为0.0249摩尔），用26毫升2.8摩尔/升的硝酸溶解。在搅拌下，加入用36毫升2.0摩尔/升氨水溶解的12.7毫升新蒸过的乙酰丙酮溶液（物质的量为0.124摩尔）。向混合物中滴加0.2摩尔/升的氨水，当pH值上升至6.0时，会出现乙酰丙酮铈（Ⅲ）的水合物沉淀。过滤沉淀后，用25毫升水洗涤三次，并在室温下干燥。

反应信息

• 作为反应物：
  描述：

  乙酰丙酮铈水合物 在 air 作用下， 以 异戊醇 为溶剂， 反应 1.0h， 生成 cerium(IV) oxide
  参考文献：
  名称：

  溶胶-凝胶法制备的纳米结构 CeO2-xZrO2 薄膜的气敏特性

  摘要：

  摘要 使用溶胶-凝胶技术并在 500°С 的温度下进行热处理，我们获得了 CeO2-xZrO2（其中 х = 0, 5, 10, 20, 30, 50 mol%）粉末和薄膜。有望用于氧气检测。使用XRD和拉曼光谱研究样品的相组成。结果表明，在这些合成条件下，无论是粉末还是薄膜，二氧化锆含量从 0 mol% 增加到 50 mol% 都会导致在二氧化铈结构中形成具有萤石晶格的固溶体。对于 CeO2-xZrO2 薄膜（其中 х = 0÷30 mol%），研究了气敏特性：我们确定了在 400 ℃的低工作温度下对宽浓度范围（0.4-20%）的氧气的电阻响应°C，并研究了水分对检测 O2 时获得的信号的影响。当湿度从 0% 增加到 100% 时，电阻和对氧值的响应会降低，并且从 75% 和更大的湿度开始，动力学特性会显着恶化，例如响应时间和恢复时间。研究了对 H2、CO、CH4、NO2 等分析物气体的选择性。含有

  DOI：

  10.1016/j.jallcom.2018.09.274
• 作为产物：
  描述：

  生成 六甲基磷酰三胺 、 乙酰丙酮铈水合物
  参考文献：
  名称：

  Synergism by sublimation of volatile lanthanide β-diketonates

  摘要：

  The synergistic effect by sublimation manifests itself in an increase in the volatility of nonvolatile or slightly volatile compounds in the presence of highly volatile agents. In this study, manifestations of the synergistic effect are demonstrated by the evaporation of mixed ligand complexes, derivatives of lanthanide acetylacetonates and neutral organic ligands, and by evaporation of the following mixtures: yttrium and zirconium acetylacetonates, lanthanum and nickel dipivaloylmethanates and acetylacetonates, and lanthanum and aluminum acetylacetonates. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0925-8388(00)01047-1
• 作为试剂：
  描述：

  苄基甲基硫醚 在 乙酰丙酮铈水合物 、 氧气 作用下， 以 甲醇 、 乙腈 为溶剂， 30.0 ℃ 、101.33 kPa 条件下， 反应 28.0h， 以93%的产率得到苄基甲基亚砜
  参考文献：
  名称：

  可见光响应性多金属氧酸盐的光氧化还原催化硫化物和亚砜之间的氧化/脱氧

  摘要：

  在本文中，我们报告一个divacant的独特可见光响应photoredox催化缺位硅钨TBA 4 ħ 4 [γ-硅钨酸10 ø 36 ]（SiW10），用于含硫化合物的官能团转化; 即，（i）将硫化物好氧氧化为亚砜，以及（ii）将亚砜的脱氧为硫化物。在合适的添加剂（例如Ce 3+（用于氧合的电子转移介体）和醇（用于氧合的电子和质子供体）的存在下，SiW10通过使用新形成的最高占据的分子轨道显示可见光诱导的电荷转移来自协调中心Ce 3+或在SiW10的空位上喝酒。因此，可以通过用可见光（λ > 400 nm）照射选择性地进行硫化物的氧化和亚砜的脱氧，从而以高收率得到相应的所需产物。SiW10光催化剂可轻松回收并重新用于这些转化。基于一些实验的证据，还讨论了添加剂的作用以及这些转化的反应机理。

  DOI：

  10.1039/c5nj01045d

文献信息

• Electrochemistry of lanthanoid(III) complexes in dimethyl sulfoxide in the presence of n-Bu4N(acac) and n-Bu4N(dibm)
  作者：Akio Iwase、Yoshinori Araki、Reiko Takahashi

  DOI：10.1016/0013-4686(90)87070-i

  日期：1990.11

  lanthanoid Ln(III) complexes was investigated in Me2SO including n-Bu4N(acac) and n-Bu4N(dibm) as ligands (where acac is the acetylacetonate anion and dibm is the diisobutrylmethanate anion). Reversible one electron reduction waves corresponding to Ln(III) complexes→Ln(II) complexes were observed in the concentration range of 5–20 mM of the ligands, including 1 mM lanthanoid perchlorates and 0.1 M TEAP

  镧系LN（III）络合物的电化学行为在我研究了2 SO包括Ñ -Bu 4 N（ACAC）和Ñ -Bu 4 N（dibm）作为配体（其中ACAC是乙酰丙酮化物阴离子和dibm是diisobutrylmethanate阴离子） 。在5–20 mM的配体浓度范围内观察到了对应于Ln（III）配合物→Ln（II）配合物的可逆的一个电子还原波，包括1 mM镧系高氯酸盐和0.1 M TEAP。在存在5 mM配体的情况下，在0.1 M TEAP中，镧系元素络合物的半波电势为sce -1.66至-2.61 V ，具体取决于镧系元素（III）离子。
• Sensor with a scaffold having changeable conformations
  申请人：Fromm Katharina

  公开号：US09758545B2

  公开（公告）日：2017-09-12

  The present invention relates to a scaffolded sensor with a container comprising a drug for triggering drug release, wherein the scaffold is intrinsically conformationally metastable and a method to its manufacture.

  这项发明涉及一种具有包含药物的容器的支架传感器，用于触发药物释放，其中支架在本质上构象亚稳，并提供了一种制造方法。
• Selective one-step synthesis of triple-decker (porphyrinato)(phthalocyaninato) early lanthanides: the balance of concurrent processes
  作者：Kirill P. Birin、Yulia G. Gorbunova、Aslan Yu. Tsivadze

  DOI：10.1039/c1dt11141h

  日期：——

  An effective one-step approach for the preparation of (porphyrinato)(phthalocyaninato) early lanthanides of type [Br4TPP]Ln[(15C5)4Pc]Ln[Br4TPP], where Br4TPP = 5,10,15,20-tetrakis-(4-bromophenyl)-porphyrinato-ligand, (15C5)4Pc = tetrakis-(15-crown-5)-phthalocyaninato-ligand and Ln = La, Pr, Nd or Eu, is developed. The influence of various factors on the reaction pathway and yields of the complexes is investigated in detail. The developed protocol is found to be general for the early lanthanide subgroup. Variation of the synthetic conditions allowed the determination and isolation of possible side-products, namely heteroleptic double-deckers [Br4TPP]Ln[(15C5)4Pc] (Ln = Nd, Eu) and triple-decker [Br4TPP]Nd[(15C5)4Pc]Nd[(15C5)4Pc]. The peculiarities of the NMR lanthanide-induced shifts (LIS) of resonances of the synthesized triple-decker complexes are precisely investigated. The isostructurality of the synthesized complexes within the series as well as isostructurality with previously synthesized compounds is demonstrated in terms of two-nuclei analysis of LIS.

  一种有效的一步法用于制备类型为 [Br4TPP]Ln[(15C5)4Pc]Ln[Br4TPP] 的 (porphyrinato)(phthalocyaninato) 早期镧系元素化合物，其中 Br4TPP = 5,10,15,20-四(4-溴苯基)-卟啉配体，(15C5)4Pc = 四(15-冠-5)-邻苯二酰亚胺配体，Ln = La、Pr、Nd 或 Eu。研究了多种因素对反应路径和配合物产率的影响。开发的方案被发现对早期镧系元素亚组普遍适用。合成条件的变化使得能够确定和分离可能的副产品，即异配位的双层结构 [Br4TPP]Ln[(15C5)4Pc]（Ln = Nd、Eu）和三层结构 [Br4TPP]Nd[(15C5)4Pc]Nd[(15C5)4Pc]。对合成的三层结构配合物 NMR 镧系诱导位移 (LIS) 共振的特殊性进行了详细研究。通过对 LIS 的双核分析，展示了所合成配合物在系列内的同构性及与之前合成化合物的同构性。
• Synthesis, Characterization, and Phosphoesterase Activity of a Series of 4f- and 4d-Sandwich-Type Germanotungstates [(<i>n</i>-C₄H₉)₄N]_{<i>l</i>/<i>m</i>}H₂[(M(H₂O)₃)(γ-GeW₁₀O₃₅)₂] (M = Ce^III, Nd^III, Gd^III, Er^III, <i>l</i> = 7; Zr^IV, <i>m</i> = 6)
  作者：Elias Tanuhadi、Emir Al-Sayed、Alexander Roller、Hana Čipčić-Paljetak、Donatella Verbanac、Annette Rompel

  DOI：10.1021/acs.inorgchem.0c01852

  日期：2020.10.5

  We report on a family of five new 4f- and 4d-doped sandwich-type germanotungstates with the general formula [(n-C4H9)4N]l/mH2[(M(H2O)3)(γ-GeW10O35)2]·3(CH3)2CO [M(H2O)3(GeW10)2] (M = CeIII, NdIII, GdIII, ErIII, l = 7; ZrIV, m = 6), which have been synthesized at room temperature in an acetone–water mixture. Among the compound series, [Zr(H2O)3(GeW10)2]8–, which has been obtained in the presence of

  我们报告了五个新的通式为[[ n -C 4 H 9）4 N] l / m H 2 [（M（H 2 O）3）（ γ-GEW 10 ö 35）2 ]·3（CH 3）2 CO [M（H 2 O）3（GEW 10）2 ]（M =铈III，钕III，钆III，铒III，升= 7;锆IV，m = 6），它们是在室温下在丙酮和水的混合物中合成的。在化合物系列中，[Zr（H 2 O）3（GeW 10）2 ] 8 –是在30％H 2 O 2存在下获得的，它是完整结合4d取代锗钨酸盐的第一个例子dilacunary [γ-葛IV w ^ 10 ö 36 ] 8-积木。通过单晶和粉末X射线衍射（XRD），IR光谱，热重分析（TGA）和元素分析，以及在溶液中通过NMR和UV-vis光谱对所有化合物进行了彻底的表征。的磷酸酯酶活性[CE（H 2 O）3（GEW 10）2 ] 9-和[锆（H 2 O）3（GEW 10）2
• Reactivity of the europium hexafluoroacetylacetonate (hfac) complex, Eu(hfac)3(diglyme), and related analogs with potassium: formation of the fluoride hfac “ate” complexes, [LnF(hfac)3K(diglyme)]2
  作者：William J. Evans、Dimitrios G. Giarikos、Matthew A. Johnston、Michael A. Greci、Joseph W. Ziller

  DOI：10.1039/b104095m

  日期：2002.2.5

  The europium hexafluoroacetylacetonate complex Eu(hfac)3(diglyme) was synthesized to examine its fluorescence and conversion to a Eu(II) analog. Reaction of Eu(hfac)3(diglyme) with potassium produced the unexpected trivalent product [EuF(hfac)3K(diglyme)]2. This reduction system was studied further by synthesizing other Ln(hfac)3(diglyme) analogs and examining their reactivity with potassium. The Nd, Sm, and Gd analogs of Ln(hfac)3(diglyme) also react with potassium to form [LnF(hfac)3K(diglyme)]2 as observed for europium. Reactions of the Eu(II) precursors, EuI2(thf)4 and [Zr2(OiPr)9]Eu(μ-I)}2 with K(hfac) also form trivalent products, namely Eu(hfac)3(diglyme) and [Zr2(OiPr)9]Eu(hfac)2.

  我们合成了六氟乙酰丙酮酸铕络合物 Eu(hfac)3(二甘醇)，以研究其荧光和向 Eu(II)类似物的转化。Eu(hfac)3(diglyme) 与钾反应产生了意想不到的三价产物 [EuF(hfac)3K(diglyme)]2。通过合成其他 Ln(hfac)3(二甘醇)类似物并检验它们与钾的反应性，进一步研究了这种还原体系。Ln(hfac)3(二甘醇)的 Nd、Sm 和 Gd 类似物也与钾反应生成[LnF(hfac)3K(二甘醇)]2，与铕的反应相同。Eu(II)前体 EuI2(thf)4 和 [Zr2(OiPr)9]Eu(δ-I)}2 与 K(hfac)的反应也会形成三价产物，即 Eu(hfac)3(diglyme) 和 [Zr2(OiPr)9]Eu(hfac)2。