ytterbium(III) chloride hexahydrate | 19423-87-1

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 镧系盐
• 英文名称: ytterbium(III) chloride hexahydrate
• 英文别名: Yb(III) chloride hexahydrate；ytterbium chloride hexahydrate；ytterbium(III) trichloride hexahydrate；ytterbium trichloride hexahydrate；yterbium chloride hexahydrate；ytterbium chloride hydrate；Ytterbium(III)chloride hydrate；ytterbium(3+);trichloride;hydrate
• CAS: 19423-87-1
• 化学式: Cl₃Yb*6H₂O
• 分子量: 387.491
• InChiKey: WGKCQSFQBYKUTC-UHFFFAOYSA-K

物化性质

• 熔点：
  180°C (dec.)
• 密度：
  2,575 g/cm3
• 溶解度：
  极易溶于H2O
• 稳定性/保质期：
  在常温常压下稳定，应避免接触酸、水分或潮湿空气。

计算性质

• 辛醇/水分配系数(LogP)：
  1.24
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 储存条件：
  常温密闭避光、通风干燥并置于惰性气体中保存。

SDS

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Section 1: Product Identification
Chemical Name: Ytterbium (III) chloride hydrate (99.99+%-Yb) (REO) PURATREM
CAS Registry Number: 19423-87-1
Formula: YbCl3.XH2O
EINECS Number: none
Chemical Family: metal halide
Synonym: Ytterbium trichloride

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 19423-87-1 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin and eyes. Inhalation can lead to irritation of the respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: Causes mild irritation of the eyes.
Skin Contact: Causes slight irritation of the skin.
Inhalation: Inhalation of dust can lead to irritation of the respiratory tract.
Ingestion: No information is available on the physiological effects of ingestion.
Acute Health Affects: Irritating to skin and eyes. May be irritating to the 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.
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: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: none required
Special Fire Fighting Procedures: No special fire fighting procedures required.
Hazardous Combustion and none
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 material 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: white xtl.
Molecular Weight: 279.4
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: 2.575
Odor: none
Solubility in Water: soluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: active metals
Decomposition Products: Ytterbium oxychloride and water

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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

理化性质

氯化镱是一种绿色斜方晶体，具有潮解性。其相对密度为2.58，受热至180℃时会失去结晶水变为无水合物。两者均易溶于水或无水乙醇。通过将氧化镱与氯化铵固体混合物加热至300℃可以制得无水氯化镱。

制备方法

氯化镱可由Yb₂O₃与四氯化碳，或热盐酸反应制得。其他制备方法包括：

1. HCl溶液/氯化铵法
2. 氯化三甲基硅烷脱水处理YbCl₃
3. 密闭试管中微细的金属粉末与氯化汞在高温下反应

应用及发展前景

催化丙烯酸酯与呋喃成环反应：以稀土路易斯酸三氯化镱为催化剂，可以顺利催化丙烯酸酯和呋喃的Diels-Alder成环反应。通常情况下，在温和条件下即可获得较好的收率，并可通过对反应条件进行调整来方便地控制产物的立体选择性。增加催化剂用量、延长反应时间或在一定范围内提高温度均有利于产物收率的提高；而降低反应时间和温度，减少催化剂用量则有利于内型产物的生成。

重稀土氯化物三氯化镱在产物收率和立体选择性方面均优于轻稀土氯化物三氯化钐。实验结果表明，三氯化镱的路易斯酸性强于三氯化钐。将反应温度从20℃降至0℃非常有利于内型产物的生成，并且有助于达到较高的立体选择性。

产物异构体之间的相互转化是影响产物立体选择性的关键因素之一。通常情况下，内型产物受动力学控制，而外型产物则由热力学控制。此外，外型产物具有较好的热稳定性，这说明在该反应中存在从内型向外型的异构化现象。这种特殊的异构化可能与外型产物的较大立体位阻有关。

文献报道，在类似的环戊二烯Diels-Alder反应中也观察到由于环戊二烯亚甲基的存在导致外型产物的立体位阻增大，从而使内型产物增加的情况。将催化剂加入一定比例的产物中，在-5℃下放置24小时后发现外型产物增多，表明三氯化镱可以催化产物由内型向外型的构型转化。我们推测，三氯化镱通过与羰基上的氧络合，使之易于形成烯醇式结构，从而促进内型向外型的转化。

反应信息

• 作为反应物：
  描述：

  ytterbium(III) chloride hexahydrate 在 NH₄Cl 作用下， 以 not given 为溶剂， 生成 氯化镱(III)
  参考文献：
  名称：

  富勒化物：异金属超导体，成分为 M2M'C60（M = K、Rb；M' = Yb、Lu、Sc）

  摘要：

  具有 MkC60 (M = K, Rb; k = 3-6) 和 K6C60 + m K 混合物 (m = 1, 3) 的钾和富勒酸铷的一步或两步反应与无水盐 M'Cl3 (M' = La、Pr、Nd、Sm、Gd、Tb、Yb、Lu、Y、Sc）和 YbI2 在甲苯-THF 介质中提供异金属富勒化物 M3-nM'nC60（n = 1-3）。在这些化合物中，组成为 M2M'C60 (M' = Yb, Lu, Sc) 的取代富勒烯显示出临界温度为 14-20 K 的超导特性。

  DOI：

  10.1007/s11172-005-0018-9
• 作为产物：
  描述：

  ytterbium(III) oxide 在 盐酸 作用下， 以 盐酸 为溶剂， 生成 ytterbium(III) chloride hexahydrate
  参考文献：
  名称：

  Zhang, Lun; Fang, Xinqin; Zhang, Guomin, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1988, vol. 18, p. 127 - 132

  摘要：

  DOI：
• 作为试剂：
  描述：

  tetraphenylporphyrin 在 ytterbium(III) chloride hexahydrate 、 1-氯萘 作用下， 以60%的产率得到[5,10,15,20-tetraphenylporphinato]ytterbium(III) chloride
  参考文献：
  名称：

  Highly Regioselective Rearrangement of 2,3-Diaryloxiranes into 2,2-Diarylacetaldehydes Catalyzed by Ytterbium Porphyrin Complex, Yb(TPP)OTf

  摘要：

  [5,10,15,20-Tetraphenylporphynato]ytterbium(III) triflate, Yb(TPP)-OTf, is an efficient Lewis acid catalyst for the highly regioselective rearrangement of 2,3-diaryloxiranes into 2,2-diarylacetaldehydes. The catalytic process can be easily performed not only in dichloroethane but also in a more environmentally friendly solvent, benzotrifluoride.

  DOI：

  10.3987/com-08-s(f)27

文献信息

• The Lanthanide Contraction Revisited
  作者：Michael Seitz、Allen G. Oliver、Kenneth N. Raymond

  DOI：10.1021/ja072750f

  日期：2007.9.1

  series of complexes with La-Lu (except Pm) with the ligand TREN-1,2-HOIQO has been synthesized and structurally characterized by means of single-crystal X-ray analysis. All complexes are 1D-polymeric species in the solid state, with the lanthanide being in an eight-coordinate, distorted trigonal-dodecahedral environment with a donor set of eight unique oxygen atoms. This series constitutes the first complete

  已经合成了具有配体 TREN-1,2-HOIQO 的 La-Lu（除了 Pm）的完整的同构系列配合物，并通过单晶 X 射线分析对其进行了结构表征。所有配合物都是固态的一维聚合物，镧系元素处于八坐标、扭曲的三角十二面体环境中，具有八个独特的氧原子供体组。该系列构成了来自 La-Lu（不含 Pm）的第一套完整的同构配合物，具有大于 2 的齿数配体。根据基于沿配位多面体所有边缘的二面角比较的形状参数度量分析，螯合部分的几何排列在整个镧系元素系列中略有偏差。单个 Ln-O 键长的明显镧系元素收缩与之前在许多具有低齿数配体的配合物中发现的预期二次减少有很大差异。然而，三价金属阳离子周围所有键长的总和更规则，在整个系列中显示出几乎理想的二次行为。镧系元素收缩的二次性质从理论上推导出用于计算离子半径的 Slater 模型。此外，沿配位多面体边缘的所有距离的总和显示出与 Ln-X 键长完全相同的二次依赖关系。这种配位球收缩的普遍有效性，伴随着
• Preparation and characterisation of dithiophosphinato-complexes of yttrium and the lanthanoids
  作者：A. Alan Pinkerton、Yisay Meseri、Charly Rieder

  DOI：10.1039/dt9780000085

  日期：——

  Hydrated lanthanoid(III) chlorides react with salts of dithiophosphinic acids in hot ethanolic solution to form the corresponding neutral tris or anionic tetrakis complexes, [Ln(S2PR2)3](R = C6H11) and [Ln(S2PR2)4]–(R = Me, OEt, or C6H11) respectively. The product of the reaction is sterically controlled. Displacement reactions with PPh3O to give mixed complexes are described. The characterisation, structures

  水合镧系元素（III）的氯化物与二硫代次膦酸盐在热乙醇溶液中反应，形成相应的中性三或阴离子四环配合物[Ln（S 2 PR 2）3 ]（R = C 6 H 11）和[Ln（S 2 PR 2）4 ] –（R = Me，OEt或C 6 H 11）。反应产物在空间上受到控制。PPh 3的置换反应描述了给出混合配合物的O。讨论了所有分离的配合物的表征，结构和光谱性质。将镧系元素-硫键与过渡金属-硫键进行比较
• A [Cyclentetrakis(methylene)]tetrakis[2-hydroxybenzamide] Ligand That Complexes and Sensitizes Lanthanide(III) Ions
  作者：Anthony D'Aléo、Jide Xu、King Do、Gilles Muller、Kenneth N. Raymond

  DOI：10.1002/hlca.200900161

  日期：2009.11

  metal‐complex species are present in solution, whose relative amounts are pH dependent. At pH>8.0, an intense long‐lived emission is observed (for [TbL1] and [YbL1]), while at pH<8.0, a weaker, shorter‐lived species predominates. Unconventional LnIII emitters (Pr, Nd, Sm, Dy, and Tm) were sensitized in basic solution, both in the VIS and in the near‐IR, to measure the emission of these ions.

  描述了含有四个 2-羟基苯甲酰胺基团的 Cyclen衍生物 H 4 L 1 ⋅2 HBr的合成。L 1的 Ln III配合物（Ln=Gd、Tb、Yb 和 Eu）的光谱特性揭示了 UV/VIS 吸收、圆二色性吸收、发光和圆偏振发光光谱的变化。结果表明，溶液中至少存在两种​​金属络合物，其相对量取决于 pH 值。在 pH>8.0 时，观察到强烈的长寿命发射（对于 [Tb L 1 ] 和 [Yb L 1 ]），而在 pH <8.0 时，较弱、寿命较短的物质占主导地位。非常规 Ln III 发射体（Pr、Nd、Sm、Dy 和 Tm）在碱性溶液中敏化，包括可见光和近红外，以测量这些离子的发射。
• Solution enthalpies of hydrates LnCl3·xH2O (Ln=Ce–Lu)
  作者：H.J Seifert、S Funke

  DOI：10.1016/s0040-6031(98)00389-x

  日期：1998.11

  Abstract Trichlorides of the lanthanide elements Ln=Ce–Lu form: (a) isotypic hexahydrates LnCl 3 ·6H 2 O with a coordination number (CN) 8 for the Ln 3+ ions. (b) Two isotypic groups of trihydrates LnCl 3 ·3H 2 O, in the first group Ln=Ce-Dy the CN is 8; the structure of the second group Ln=Er–Lu is unknown. With Ho no trihydrate exists; a dihydrate is formed. (c) Two isotypic groups of monohydrates

  摘要 镧系元素的三氯化物Ln=Ce-Lu 形式： (a) 同型六水合物LnCl 3 ·6H 2 O，Ln 3+ 离子的配位数为(CN) 8 。(b)三水合物LnCl 3 ·3H 2 O的两个同型组，在第一组Ln=Ce-Dy中CN为8；第二组 Ln=Er-Lu 的结构未知。Ho 不存在三水合物；形成二水合物。(c) 具有未知结构的两个同型一水合物LnCl 3 ·H 2 O – Ln=Ce-Dy 和Ln=Ho-Lu。对于所有化合物和无水氯化物，LnCl 3 溶液的焓是用等周热量计测量的。Δ sol H 0 值不仅取决于差异（晶格焓/水合焓），还取决于溶液中的状态。根据Spedding Ln 3+ 离子对水的CN在Nd和Sm之间从9变为8，导致一系列溶液焓的最小值。发现二水合物 LnCl 3 ·2H 2 O 对于 Ln=Ce、Pr、Nd、Sm 和推测对于 Eu 和 Gd。他们还没有被很好地表征。
• New mixed halide compounds MFX of divalent rare earths (M = Sm, Eu, Tm, and Yb; X = Cl, Br, and I)
  作者：H.P. Beck

  DOI：10.1016/0022-4596(78)90067-1

  日期：1978.1

  The synthesis of new mixed halide compounds MFX (M = Sm, Eu, Tm, Yb; X = Cl, Br, I) of divalent rare earths is reported. Lattice parameters and X-ray diffraction patterns are presented for these compounds, all of which crystallize in the tetragonal PbFCl-type arrangement. The geometric variations within this structure type and its relationships to the FeSi2 structure are discussed.

  据报道合成了新的二价稀土混合卤化物化合物M F X（M = Sm，Eu，Tm，Yb; X = Cl，Br，I）。给出了这些化合物的晶格参数和X射线衍射图，所有这些化合物均以四方PbFCl型排列形式结晶。讨论了这种结构类型内的几何变化及其与FeSi 2结构的关系。