三(氰基式二烯基)铈 - CAS号 1298-53-9

物化性质

熔点：

300 °C (dec.)(lit.)
沸点：

230°C 0,01mm
闪点：

>230 °F
稳定性/保质期：

如果遵照规格使用和储存，则不会分解，未有已知危险反应，应避免与氧化物接触。

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

危险品标志：

F
安全说明：

S,S43,S7/8
危险类别码：

R11
海关编码：

2902199090
危险品运输编号：

UN 3395 4

SDS

SDS：7c5069bbf434528637607540faa03a1b

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Name:	Tris(cyclopentadienyl)cerium Material Safety Data Sheet
Synonym:
CAS:	1298-53-9

Section 1 - Chemical Product MSDS Name:Tris(cyclopentadienyl)cerium Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1298-53-9	Tris(cyclopentadienyl)cerium		215-073-6

Hazard Symbols: F
Risk Phrases: 11

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable.Air sensitive.Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Flammable solid.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Remove all sources of ignition. Use a spark-proof tool.

Section 7 - HANDLING and STORAGE
Handling:
Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Keep under an argon blanket.
Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1298-53-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 300 deg C Dec.
Autoignition Temperature: Not available.
Flash Point: > 109 deg C (> 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H15Ce
Molecular Weight: 335.225

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1298-53-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tris(cyclopentadienyl)cerium - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
Safety Phrases:
S 7/9 Keep container tightly closed and in a
well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
WGK (Water Danger/Protection)
CAS# 1298-53-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1298-53-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1298-53-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

三(氰基式二烯基)铈在四氢呋喃作用下，以正己烷为溶剂，生成 Cp₃Ce(THF)

参考文献：

名称：

Zur elektronenstruktur metallorganischer komplexe der ƒ-elemente—XXIV. Interpretation der optischen und magnetochemischen Eigenschaften von Cp3CeIII THF auf der Grundlage der kristallfeldtheorie

摘要：

DOI：

10.1016/0584-8539(90)80199-9
作为产物：

描述：

Cp₃Ce(THF) 以 neat (no solvent) 为溶剂，生成三(氰基式二烯基)铈

参考文献：

名称：

MolekülstrukturUND ladungsverteilung DER 4 ˚F - UND 5 ˚F -elemente ：III。1：1-三（环戊二烯基）镧系元素（III），z-act系元素（III）和四氢呋喃的加成物；Röntgenstrukturanalysevon（C 5 H 5）3 Dy·THF

摘要：

三价镧系元素La与Lu的三（环戊二烯基）化合物（Pm化合物除外）的三（环戊二烯基）化合物和较轻的in系元素Th，U，Np和Pu与四氢呋喃的1：1加合物的介电常数和偶极矩，（C 5 H 5）3 M III。测量了THF，并研究了分子内的电荷分布。从金属氧键的部分电力矩，计算出4 f-和5 f-电子在分子的总电偶极矩中的分布。（C 5 H 5）3的晶体和分子结构通过单晶X射线研究阐明了Dy·THF。讨论了化合物类别（C 5 H 5）3 M III ·THF中的四联体效应。

DOI：

10.1016/0022-328x(92)83398-2
作为试剂：

描述：

三氟氯乙烯在 lithium aluminium tetrahydride 、三(氰基式二烯基)铈作用下，以甲苯为溶剂，反应 21.0h，以11.1%的产率得到顺式-1,2-二氟-1-氯乙烯

参考文献：

名称：

稀土金属催化的CF键活化

摘要：

Cp 3 Ln（Ln = Ce，Nd，Sm，Er，Yb）在LiAlH 4存在下用作六氟丙烯，1,1,3,3,3-五氟丙烯，三氟丙烯的CF键活化的预催化剂，氯三氟乙烯和八氟甲苯。加氢氟化反应（HDF）的转化率为100％，TONs高达155。对于氯三氟乙烯，加氢脱氟反应具有较高的化学选择性，有利于C–F键活化而不是C–Cl键活化。

DOI：

10.1002/zaac.201800044

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文献信息

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
Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N–H and C–H bonds

作者：Polly L. Arnold、Thomas Cadenbach、Isobel H. Marr、Andrew A. Fyfe、Nicola L. Bell、Ronan Bellabarba、Robert P. Tooze、Jason B. Love

DOI：10.1039/c4dt01442a

日期：——

earth and actinide complexes with hemilabile NHC-ligands towards substrates with acidic C–H and N–H bonds is described. The synthesis, characterisation and X-ray structures of the new heteroleptic mono- and bis(NHC) cyclopentadienyl complexes LnCp2(L) 1 (Ln = Sc, Y, Ce; L = alkoxy-tethered carbene [OCMe2CH2(1-CNCHCHNiPr})]), LnCp(L)2 (Ln = Y) 2, and the homoleptic tetrakis(NHC) complex Th(L)44 are

描述了一系列具有半不稳定NHC配体的有机金属稀土和act系元素络合物对具有酸性CH和NH键的底物的反应性。新型杂配单和双（NHC）环戊二烯基络合物LnCp 2（L）1（Ln = Sc，Y，Ce; L =烷氧基连接的卡宾[OCMe 2 CH 2（1 -C NCHCHN i Pr}）]），LnCp（L）2（Ln = Y）2和均质四（NHC）络合物Th（L）4 4进行了描述。这些配合物和纯合子配合物Ln（L）3（Ln = Sc 3（Ce），其中包含E–H底物，其中EH =吡咯C 4 H 4 NH，吲哚C 8 H 6 NH，二苯丙酮Ph 2 CC（O）Me，末端炔烃RC CH（R = Me 3 Si，Ph ）和环戊二烯C 5 H 6。复杂的1-Y杂合裂解并在金属卡宾键上添加吡咯和吲哚N–H，而1-Ce则不，尽管3和4形成H键加成。1-Y和1-Sc配合物与CpH形成加合物，而不会裂解酸性C–H键1
Trivalent Cerium and Praseodymium Aromatic Ketone Adducts

作者：Alan R. Crozier、Karl W. Törnroos、Cäcilia Maichle‐Mössmer、Reiner Anwander

DOI：10.1002/ejic.201201171

日期：2013.1.15

of the aromatic ketones benzophenone and 9-fluorenone with trivalent [LnL3] complexes [Ln = Ce, Pr; L = N(SiMe3)2, C5H5 (Cp)] produce highly colored solutions in toluene. Characterization of these complexes by X-ray diffraction revealed them to be monoadducts of the form [LnL3(ketone)]. The crystallographically determined C–O bonds of these complexes are longer than those of the free ketones. Significant

芳香酮二苯甲酮和 9-芴酮与三价 [LnL3] 络合物的反应 [Ln = Ce, Pr; L = N(SiMe3)2, C5H5 (Cp)] 在甲苯中产生高度着色的溶液。通过 X 射线衍射表征这些配合物表明它们是 [LnL3(酮)] 形式的单加合物。这些配合物的晶体学确定的 C-O 键长于游离酮的 C-O 键。配位酮的 ν(C=O) 振动也表明配体到金属的显着电荷转移，其出现在较低波长。基于溶液的 1H NMR 光谱显示配合物 Ln[N(SiMe3)2]3(酮) 和 Ln(C5H5)3(酮) 的顺磁性光谱，这进一步支持了这一发现。
Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis

作者：Rainer Zitz、Henning Arp、Johann Hlina、Małgorzata Walewska、Christoph Marschner、Tibor Szilvási、Burgert Blom、Judith Baumgartner

DOI：10.1021/ic502991p

日期：2015.4.6

(2a), Ho (2b), Tb (2c), Gd (2d)]. Complexes 2a–2d represent the first examples of structurally characterized Tm, Ho, Tb, and Gd complexes featuring Ln–Si bonds. Strikingly, the analogous reaction of 1 with the lighter element analogue Cp3Ce affords the acyclic product [Cp3CeSi(SiMe3)2SiMe2SiMe2Si(SiMe3)2-Cp3Ce]2–2[K(18-cr-6)]+ (3) as the first example of a complex featuring a Ce–Si bond. In an alternative

具有镧系元素（Ln）-Si键的配合物是一个被高度忽视的研究领域。在本文中，我们报道了一系列带有σ键合的甲硅烷基和碱稳定的N杂环亚甲硅烷基（NHSi）配体的开孔Ln II +和Ln III +配合物。Ln III +配合物Cp 3 Ln（Ln = Tm，Ho，Tb，Gd; Cp =环戊二烯）与18冠6（18-cr-6）稳定的1,4-低聚硅烷基二阴离子[[18 -cr-6）KSi（SiMe 3）2 SiMe 2 SiMe 2 Si（SiMe 3）2 K（18-cr-6）]（1）选择性提供相应的金属环戊金属硅烷盐[Cp 2 Ln（Si（SiMe3）2 SiMe 2 } 2）] - [K 2（18-cr-6）2 Cp] + [Ln = Tm（2a），Ho（2b），Tb（2c），Gd（2d）]。配合物2a - 2d代表了具有Ln-Si键的结构表征的Tm，Ho，Tb和Gd配合物的第一个例子。惊人地，1与较轻元素类似物Cp
Molecular rare earth metal alumosilicates

作者：Raúl Huerta-Lavorie、Dana V. Báez-Rodríguez、Jessica García-Ríos、Emiliano Martínez-Vollbert、Diego Martínez-Otero、Vojtech Jancik

DOI：10.1039/c7dt00874k

日期：——

alumosilicate ligand LAl(OH·thf)(μ-O)Si(OH)(OtBu)2 (1, L = HCC(Me)N(2,6-iPr2C6H3)}2). Reactions between 1 and tris-cyclopentadienyl lanthanides (LnCp3; Ln = Ce, Nd, Sm, Gd, Tb, Dy, Y, Er) derived in the isolation of eight compounds (2–9) where the ligand is observed in three different bonding modes: adducts (2, 3), spirocyclic (4) or cyclic (5–9) coordination compounds. The observed reactivity can be related to

分子四配位镧系硅铝酸盐的合成和稳定是通过使用高度阻碍的铝硅酸盐配体L Al（OH·thf）（μ-O）Si（OH）（O t Bu）2（1，L = HC C（Me）N（2，6 - i Pr 2 C 6 H 3）} 2）。之间的反应1和三环戊二烯基镧系元素（LnCP中3 ; Ln为铈，钕，钐，钆，铽，镝，Y，Er）的中的八种化合物（隔离衍生2-9其中配体是在三个不同的观察到的）接合模式：加合物（2，3），螺环（4）或环状（5-9）配位化合物。所观察到的反应性可以与镧系元素原子的离子半径和从所述氢氧化物（铝-OH）或羟基（的Si-OH）基团中的氧供体原子的性质1。化合物2–9具有一般的O–Al–O–Si–O–Ln连通性，在1中的–OH基团上具有不同的取代度，并且其结构特征在铝硅酸盐部分上也仅有微小变化（O–Al–O–Si–O– O）在镧系元素上的配位。由于高度应变的多环结构，螺环sa衍生物具有两

三(氰基式二烯基)铈 | 1298-53-9

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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