三(环戊二烯)化钐 | 1298-55-1

• 物质功能分类: 化学试剂 - 有机试剂 - 烯烃（环状与无环状）
• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 中文名称: 三(环戊二烯)化钐
• 中文别名: 三(环戊二烯)钐(III)；三(环戊二烯)化钐(III)；三(氰基式二烯基)钐
• 英文名称: tris(cyclopentadienyl)samarium(III)
• 英文别名: samarium tris(cyclopentadienide)；tris(cyclopentadienyl) samarium；tris(cyclopentadienyl)samarium；(η5-C5H5)3Sm；Cp3Sm；Sm(tris(cyclopentadienyl))；cyclopenta-1,3-diene;samarium(3+)
• CAS: 1298-55-1
• 化学式: C₁₅H₁₅Sm
• 分子量: 345.644
• InChiKey: KVPLAESAFJIHKL-UHFFFAOYSA-N

物化性质

• 熔点：
  >350 °C(lit.)
• 闪点：
  38 °C
• 稳定性/保质期：
  如果按照规格正确使用和储存，就不会分解，没有已知的危险反应。请避免与氧化物、水分或潮湿空气接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  4.1
• 危险品标志：
  F
• 安全说明：
  S,S43,S7/8
• 危险类别码：
  R11
• 海关编码：
  2902199090
• 包装等级：
  III
• 危险类别：
  4.1
• 危险品运输编号：
  UN 3395 4
• 储存条件：
  请将贮藏器密封，并存放在阴凉、干燥处。确保工作环境有良好的通风或排气设施。

SDS

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Section 1: Product Identification
Chemical Name: Tris(cyclopentadienyl)samarium(99.9%-Sm) (REO)
CAS Registry Number: 1298-55-1
Formula: (C5H5)3Sm
EINECS Number: 215-55-1
Chemical Family: metallocene
Synonym: tris(eta5-2,4-cyclopentadien-1-yl)samarium

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 1298-55-1 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: May be irritating to skin, eyes, and mucous membranes. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: May cause slight to mild irritation of the eyes.
Skin Contact: May cause slight to mild irritation of the skin.
Inhalation: (If dust) May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information on the physiological effects of ingestion.
Acute Health Affects: May be 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 organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable solid. Dust may form explosive mixtures with air.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
Spill and Leak Procedures:
swept up.

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SECTION 7: Handling and Storage
Store and handle the material under an inert atmosphere of dry nitrogen or argon. Keep away from heat, air
Handling and Storage:
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: orange powder
Molecular Weight: 345.69
Melting Point: 356°
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 sensitive, moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: Air and moisture. Keep away from ignition sources.
Incompatibility: halogens and oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, samarium oxide 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): Flammable solids, Organic, N.O.S.
Hazard Class (CFR): 4.1
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 1325
Shipping Name (IATA): Flammable solid, Organic, N.O.S.
Hazard Class (IATA): 4.1
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 1325

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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

反应信息

• 作为反应物：
  描述：

  三(环戊二烯)化钐 在 n-pentanol 作用下， 以 四氢呋喃 为溶剂， 以32.5%的产率得到{(C5H5)2Sm(μ-O(CH2)4CH3)}2
  参考文献：
  名称：

  Formation and crystal structures of (C5H5)3Sm(THF) and (C5H5)3Dy(THF)

  摘要：

  The title complexes were formed by refluxing the complexes [Cp(2)SmO (CH2)(4)CH3](2) and [Cp(2)DyS(CH2)(3)CH3](2) (Cp = C5H5) in THF and studied by X-ray crystallography. The complexes are both monomers with the central metal coordinated by three Cp ring centroids and one THF molecule to form a distorted tetrahedral geometry. The Cp groups coordinate to the metal in a eta(5)-fashion with the average Sm-C distance of 2.75(2) Angstrom and Dy-C distance of 2.70(1) Angstrom. The Sm-O and Dy-O bond lengths are 2.512(8) and 2.462(6) Angstrom, respectively. The comparison of some significant structural parameters of the title complexes with those of the known isostructural complexes Cp(3)Ln . THF (Ln = La, Pr, Nd, Gd and Lu) conformed to the ''lanthanide contraction'' effect.

  DOI：

  10.1016/s0277-5387(00)81649-6
• 作为产物：
  描述：

  (C₅H₅)₃Sm(THF) 以 solid 为溶剂， 以58%的产率得到三(环戊二烯)化钐
  参考文献：
  名称：

  Deacon, Glen B.; Koplick, Andrew J.; Tuong, Tran D., Australian Journal of Chemistry, 1984, vol. 37, p. 517 - 526

  摘要：

  DOI：
• 作为试剂：
  描述：

  4-乙烯基-1-环己烯 在 三(环戊二烯)化钐 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以90%的产率得到4-ethylcyclohexene
  参考文献：
  名称：

  有机镧系配合物的研究：XVIII。用三甲苯基戊二烯基镧系元素/氢化钠还原和异构化烯烃

  摘要：

  水解后，在45°C下用Cp 3 Ln / NaH（Cp =环戊二烯基，Ln =稀土金属）还原1-己烯，得到己烷。Cp 3 Ln的还原活性在很大程度上取决于三价稀土离子的离子半径。早期稀土还原1-己烷的活性和选择性都比重稀土高。Cp 3 Ln / NaH系统可用于区域选择性还原包含末端碳碳双键以及内部产率高的二烯。选择性为100％。而且，Cp 3 Ln / NaH系统能够催化烯烃的氢化。

  DOI：

  10.1016/0022-328x(88)80477-7

文献信息

• Stannocene as Cyclopentadienyl Transfer Agent in Transmetalation Reactions with Lanthanide Metals for the Synthesis of Tris(cyclopentadienyl)lanthanides
  作者：Christoph Janiak

  DOI：10.1002/zaac.201000239

  日期：2010.11

  Transmetalation of the lanthanide metals samarium and ytterbium with bis(cyclopentadienyl)tin(II), stannocene, (η5-C5H5)2Sn as cyclopentadienyl transfer agent yields the tris(cyclopentadienyl)lanthanides (η5-C5H5)3Ln (in toluene), (η5-C5H5)3Ln·THF (Ln = Sm, Yb) and bis(cyclopentadienyl)ytterbium, (η5-C5H5)2Yb·THF in a direct, facile, high-yield and halide-free route. In toluene the base-free forms (η5-C5H5)3Ln are

  镧系元素金属钐和镱与双（环戊二烯基）锡（II）、锡茂、（η5-C5H5）2Sn 作为环戊二烯基转移剂的金属转移产生三（环戊二烯基）镧系元素（η5-C5H5）3Ln（在甲苯中），（η5 -C5H5)3Ln·THF (Ln = Sm, Yb) 和双（环戊二烯基）镱，(η5-C5H5)2Yb·THF 以直接、简便、高产率和无卤化物的路线。在甲苯中，直接分离无碱形式的 (η5-C5H5)3Ln。在 THF 中，以结晶形式获得加合物 (η5-C5H5)3Ln·THF。在 Yb:Sn 摩尔比为 1:1 时，镱金属将最初形成的 (η5-C5H5)3Yb·THF 还原为 (η5-C5H5)2Yb·THF。
• Group 4 Metal and Lanthanide Complexes in the Oxidation State +3 with Tris(trimethylsilyl)silyl Ligands
  作者：Rainer Zitz、Johann Hlina、Henning Arp、Dominik Kinschel、Christoph Marschner、Judith Baumgartner

  DOI：10.1021/acs.inorgchem.9b00866

  日期：2019.5.20

  A number of paramagnetic silylated d1 group 4 metallates were prepared by reaction of potassium tris(trimethylsilyl)silanide with group 4 metallates of the type K[Cp2MCl2] (M = Ti, Zr, Hf). The outcomes of the reactions differ for all three metals. While for the hafnium case the expected complex [Cp2HfSi(SiMe3)3}2]− was obtained, the analogous titanium reaction led to a product with two Si(H)(SiMe3)2

  通过三(三甲基甲硅烷基)硅烷化钾与K[Cp 2 MCl 2 ]型(M = Ti、Zr、Hf)的第4族金属化物的反应，制备了许多顺磁性甲硅烷基化d 1 4族金属化物。所有三种金属的反应结果都不同。虽然对于铪情况，获得了预期的配合物 [Cp 2 HfSi(SiMe 3 ) 3 } 2 ] -，但类似的钛反应产生了具有两个 Si(H)(SiMe 3 ) 2配体的产物。与锆的反应导致形成双核富瓦烯桥连络合物。所需的 [Cp 2 ZrSi(SiMe 3 )3 } 2 ] -可以通过用钾还原Cp 2 ZrSi(SiMe 3 ) 3 } 2获得。在三（三甲基甲硅烷基）硅烷化钾与某些镧系元素 Cp 3 Ln（Ln = Ce、Sm、Gd、Ho、Tm）配合物的相关反应中，[Cp 3 Ln Si(SiMe 3 ) 3 ] -与 [18-得到了crown-6·K] +或络离子[18-crown-6·K·Cp
• Cyclopentadienyl ring metathesis with bis(pentamethylcyclopentadienyl)calcium as a route to mixed ring organolanthanide complexes; the crystal structure of (C5Me5)2Nd(C5H5)
  作者：Pamela S. Tanner、David J. Burkey、Timothy P. Hanusa

  DOI：10.1016/0277-5387(94)00316-7

  日期：1995.1

  Bis(pentamethylcyclopentadienyl)calcium, (C5Me5)2Ca, can be made by the reaction of Ca[N(SiMe3)2]2 with C5Me5H in toluene. It undergoes cyclopentadienyl ring metathesis with tris(cyclopentadienyl)lanthanide complexes, Cp3Ln (Ln = La, Nd, Sm) in toluene to generate the mixed ring complexes (C5Me5)2LnCp. The X-ray crystal structure of (C5Me5)2NdCp shows that the complex is a sterically crowded monomer

  双（五甲基环戊二烯基）钙（C 5 Me 5）2 Ca可以通过Ca [N（SiMe 3）2 ] 2与C 5 Me 5 H在甲苯中的反应制得。它与三（环戊二烯基）镧系元素络合物Cp 3 Ln（Ln = La，Nd，Sm）在甲苯中进行环戊二烯基环复分解反应，生成混合环络合物（C 5 Me 5）2 LnCp。的（C的X射线晶体结构5我5）2 NDCP表明该复合物是一个在空间上拥挤的单体η 5 -C5 Me 5和Cp环。C 5 Me 5和Cp环的平均NdC距离为2.76–2.79Å。
• Syntheses, Structure, and Properties of Mixed Cp–Amidinate Rare-Earth-Metal(III) Complexes
  作者：Jun-Feng Liu、Fu-Xing Pan、Shuang Yao、Xue Min、Dongmei Cui、Zhong-Ming Sun

  DOI：10.1021/om400856d

  日期：2014.3.24

  Cp–amidinate rare-earth-metal(III) complexes [Cp2L1LnPhCN] (Ln = Y (1), La (2), Sm (3), Eu (4), Gd (5), Tb (6), Dy (7); L1 = PhC(NSiMe3)2), [Cp2L1Ln] (Ln = Er (8), Yb (9)), and [Cp2L2Ln] (Ln = Y (10), Eu (11), Gd (12), Tb (13), Dy (14), Er (15); L2 = N(t-Bu)C(Ph)N(SiMe3)) were synthesized by treatment of Cp3Ln with lithium amidinates. The phase transition has been observed for compounds 5 and 9 at low

  一族混合的Cp-酰胺基稀土金属（III）配合物[Cp 2 L 1 LnPhCN]（Ln = Y（1），La（2），Sm（3），Eu（4），Gd（5） ，Tb（6），Dy（7）； L 1 = PhC（NSiMe 3）2），[Cp 2 L 1 Ln]（Ln = Er（8），Yb（9））和[Cp 2 L 2 Ln ]（Ln = Y（10），Eu（11），Gd（12），Tb（13），Dy（14），Er（15）; L 2＝ N（t- Bu）C（Ph）N（SiMe 3））是通过用in基锂处理Cp 3 Ln而合成的。在低温（200 K）下观察到化合物5和9的相变。单晶结构分析表明，化合物1，3，4，图5b，6，7，9B，和10 - 15含有两个交错Cp环。与此相反，化合物中观察到两个黯然失色Cp环2，图5a，8和9a。此外，还研究了配合物6的发光性质和配合物7的磁性。
• Synthesis and characterization of dimeric (cyclohexanoneoximato)bis(cyclopentadienyl) lanthanide(III) complexes
  作者：Xiuran Wang、Xu Shen、Baohui Duo

  DOI：10.1016/s0277-5387(00)83181-2

  日期：1992.1

  The reaction Of Cp3Ln (Ln  Pr, Nd, Sm, Gd, Dy, Ho, Er, Y, Tm, Yb; Cp  cyclopentadienyl) with cyclohexanoneoxime in THF results in the formation of [CP2Ln (ONC6H10)]2 in moderate yields. The complexes are considered to be oxygen-bridged dimers on the basis of mass spectral data, and are relatively air-stable. Disproportionation on heating is observed for Ln  Pr, Nd, Sm.

  Cp 3 Ln（LnPr，Nd，Sm，Gd，Dy，Ho，Er，Y，Tm，Yb; Cp环戊二烯基）与环己酮肟在THF中的反应导致形成[CP 2 Ln（ONC 6 H 10）] 2处于中等产量。根据质谱数据，该配合物被认为是氧桥联的二聚体，并且是相对稳定的。对于LnPr，Nd，Sm，观察到加热时的歧化。