二氯二羰基双(三苯基膦)钌 | 14564-35-3

• 物质功能分类: 催化剂及助剂 - 贵金属催化剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 二氯二羰基双(三苯基膦)钌
• 中文别名: 三苯基膦羰基氯化钌；双(三苯基膦基)二羰基合氯化钌(Ⅱ)；二(三苯基膦)二羰基二氯化钌(II)
• 英文名称: dicarbonyldichlorobis(triphenylphosphine)ruthenium(II)
• 英文别名: (Ru(PPh3)2(CO)2Cl2)；Carbon monoxide;ruthenium(2+);triphenylphosphane;dichloride；carbon monoxide;ruthenium(2+);triphenylphosphane;dichloride
• CAS: 14564-35-3
• 化学式: C₃₈H₃₀Cl₂O₂P₂Ru
• 分子量: 752.579
• InChiKey: PXURRFCLQDNZOY-UHFFFAOYSA-L

物化性质

• 熔点：
  230-235°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.82
• 重原子数：
  45
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  28439090
• 安全说明：
  S22,S24/25
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319
• 储存条件：
  室温

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Bis(triphenylphosphine)ruthenium(II) dicarbonyl
chloride
CAS-No. : 14564-35-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)
Ruthenium(II)bis(triphenylphosphine)dichlorocarbonyl
Formula : C38H30Cl2O2P2Ru
Molecular Weight : 752,57 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Oxides of phosphorus, Hydrogen chloride gas, Ruthenium oxide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: beige
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

用途

二氯二羰基双（三苯基膦）钌对芳香酮羰基邻位与烯烃分子发生加成反应具有较好的催化性能，可作为贵金属催化剂，广泛应用于有机合成反应中。

制备

称取一定量的三苯基膦，加入到含有定量无水乙醇溶液的100mL三口烧瓶中，搅拌后加热至沸腾。随后快速依次加入三水合三氯化钌、甲醛溶液和氢氧化钾。加热回流（反应过程中会产生沉淀物），待反应一段时间后停止反应，并自然冷却至室温。过滤得到滤饼，分别用95%乙醇、去离子水、95%乙醇及石油醚进行洗涤，干燥沉淀物至恒重，最终获得二氯二羰基双(三苯基膦)钌粗产物并称量，以计算产物收率。

反应信息

• 作为反应物：
  描述：

  二氯二羰基双(三苯基膦)钌 在 KOH 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ru: SVol., 187, page 504 - 506

  摘要：

  DOI：
• 作为产物：
  描述：

  钌,三羰基二(三苯基膦)- 在 Ph₂CHC(O)Cl 作用下， 以 甲苯 为溶剂， 生成 二氯二羰基双(三苯基膦)钌
  参考文献：
  名称：

  钌（0）化合物诱导的酰氯中的取代烯酮消除

  摘要：

  化合物Ru（CO）2（triphos）（triphos = MeC（CH 2 PPh 2）3）与许多酰氯RR'CHCOCl反应形成[RuH（CO）2（triphos ）] Cl和相应的取代烯酮RR'CCO。对Ph 2 CHCOCl反应的定量研究表明，Ph 2 CCO以1：1的化学计量比形成。化合物Ru（CO）3（PPh 3）2也与Ph 2 CHCOCl反应，形成Ph 2 CCO和不稳定的氢化物[RuH（CO）3（PPh 3）2 ] Cl，也已报道其化学性质。

  DOI：

  10.1016/0022-328x(88)80510-2
• 作为试剂：
  描述：

  苯基乙炔三丁基锡 、 氘 在 二氯二羰基双(三苯基膦)钌 作用下， 以 二甲基亚砜 为溶剂， 以74%的产率得到
  参考文献：
  名称：

  Ruthenium-Catalyzed Hydrogenation of Alkynylstannanes with Migration of the Stannyl Group

  摘要：

  Molecular hydrogen adds to aliphatic and aromatic alkynylstannanes in the presence of a ruthenium catalyst, pushing the stannyl group to the adjacent carbon atom to give alpha-substituted vinylstannanes. This is the first achievement of hydrogenation of alkynylstannanes, which is applicable also to the deuteration affording precursors for an important class of deuterium-labeled compounds.

  DOI：

  10.1021/ja0458827

文献信息

• Variable Coordination Modes of Benzaldehyde Thiosemicarbazones – Synthesis, Structure, and Electrochemical Properties of Some Ruthenium Complexes
  作者：Swati Dutta、Falguni Basuli、Alfonso Castineiras、Shie‐Ming Peng、Gene‐Hsiang Lee、Samaresh Bhattacharya

  DOI：10.1002/ejic.200800547

  日期：2008.10

  [H 2 LR, where H 2 stands for the two protons, the hydrazinic proton, and the phenyl proton at the ortho position, with respect to the imine function and R (R = OCH 3 , CH 3 , H, Cl, and NO 2 ) for the para substituent] with [Ru(PPh 3 ) 2 (CO) 2 Cl 2 ], carried out in refluxing ethanol, afforded monomeric complexes of type [Ru(PPh 3 ) 2 (CO)(HLR)(H)]. The crystal structure of the [Ru(PPh 3 ) 2 (CO)(HLNO

  苯甲醛缩氨基硫脲的反应 [H 2 LR，其中 H 2 代表两个质子，即肼质子和邻位的苯基质子，相对于亚胺官能团和 R (R = OCH 3 , CH 3 , H, Cl，和 NO 2 ) 作为对位取代基] 与 [Ru(PPh 3 ) 2 (CO) 2 Cl 2 ]，在回流乙醇中进行，得到 [Ru(PPh 3 ) 2 (CO)(HLR) 类型的单体配合物）（H）]。确定了[Ru(PPh 3 ) 2 (CO)(HLNO 2 )(H)] 络合物的晶体结构。缩氨基硫脲配体作为二齿 N,S-供体配体与钌中心配位，形成四元螯合环。当缩氨基硫脲与 [Ru(PPh 3 ) 2 (CO) 2 Cl 2 ] 在回流甲苯中进行反应时，[Ru2(PPh 3 ) 2 (CO) 2 (LR) 2 型二聚配合物家族] 获得。确定了[Ru2(PPh 3 ) 2 (CO) 2 (LCl) 2 ]的晶体结构。每个缩氨基硫脲配
• Mixed-ligand 1,3-diaryltriazenide complexes of ruthenium: Synthesis, structure and catalytic properties
  作者：Nabanita Saha Chowdhury、Chhandasi GuhaRoy、Ray J. Butcher、Samaresh Bhattacharya

  DOI：10.1016/j.ica.2013.06.043

  日期：2013.9

  with [Ru(PPh3)2(CO)2Cl2] in 2-methoxyethanol in the presence of a base (NEt3) affords a family of yellow complexes of the type [Ru(PPh3)2(L-R)(CO)(H)], where the 1,3-diaryltriazenes are coordinated as monoanionic bidentate NN-donors. Two triphenylphosphines, a hydride and a carbonyl are also coordinated to ruthenium. The triphenylphosphines are mutually trans, and the hydride and carbonyl are mutually

  1，3-二芳基三氮烯（通常缩写为HL-R，其中H表示可分解的NH质子，R为对位取代基（R = O ，CH3，H，Cl，NO2）的芳基片段上的反应）在碱（NEt3）存在下，在2-甲氧基乙醇中用[Ru（PPh3）2（CO）2Cl2]制备[Ru（PPh3）2（LR）（CO）（H）类型的黄色络合物家族，其中1,3-二芳基三氮烯作为单阴离子双齿NN供体进行配位。两个三苯基膦，氢化物和羰基也与钌配位。三苯基膦是相互反式的，氢化物和羰基是相互顺式的。[Ru（PPh3）2（LH）（CO）（H）]配合物的结构已通过X射线晶体学测定。所有配合物在可见光区域均表现出强烈的吸收，根据DFT计算，这些吸收被分配，到三氮烯配体轨道内的跃迁。所述配合物在SCE的正极显示出不可逆的氧化，而在负极显示出不可逆的还原。发现所有配合物均有效催化转移氢化反应。
• Cycloruthenation of <i>N</i> ‐(Naphthyl)salicylaldimine and Related Ligands: Utilization of the Ru–C Bond in Catalytic Transfer Hydrogenation
  作者：Jayita Dutta、Michael G. Richmond、Samaresh Bhattacharya

  DOI：10.1002/ejic.201402236

  日期：2014.9

  Upon reaction with [Ru(PPh3)2(CO)2Cl2], N-(naphthyl)-4-R-salicylaldimines (R = OCH3, H, Cl; H2L1–H2L3) and 2-hydroxy-N-(naphthyl)naphthaldimine (H2L4) readily undergo cycloruthenation by C–H bond activation at the peri position to afford complexes of the type [Ru(PPh3)2(L)(CO)] (L = L1–L4). The crystal structures of the [Ru(PPh3)2(L)(CO)] (L = L1, L2, L4) complexes were determined and the structure

  与 [Ru(PPh3)2(CO)2CL2] 反应后，N-(萘基)-4-R-水杨醛亚胺 (R = OCH3, H, Cl; H2L1–H2L3) 和 2-羟基-N-(萘基)萘二甲胺(H2L4) 很容易通过在周围位置的 C-H 键活化进行环钌化，以提供 [Ru(PPh3)2(L)(CO)] 类型的配合物（L = L1-L4）。确定了 [Ru(PPh3)2(L)(CO)] (L = L1, L2, L4) 配合物的晶体结构，并通过 DFT 优化了 [Ru(PPh3)2(L3)(CO)] 的结构计算。确定了 [Ru(PPh3)2(CO)2CL2] 与 H2L2 反应生成 [Ru(PPh3)2(L2)(CO)] 的热力学。所有配合物在可见光和紫外光区域都显示出强烈的吸收，这已经通过 TDDFT 计算进行了分析。四种环钌配合物的循环伏安法显示，相对于 SCE，在 0.50–1.35 V 范围内的两种氧化和相对于
• Difluorocarbene complexes of ruthenium derived from trifluoromethyl compounds. RuCl2(CF2)(CO)(PPh3)2, RuCl2(CFNMe2)(CO)(PPh3)2, RuCl2(CFOMe)(CO)(PPh3)2 and the structure of Ru(CF3)(HgCF3)(CO)2(PPh3)2
  作者：G.R. Clark、S.V. Hoskins、W.R. Roper

  DOI：10.1016/s0022-328x(00)85710-1

  日期：1982.8

  Difluorocarbene complexes are implicated in these reactions and a crystalline example of such a compound is RuCl2(CF2)(CO)(PPh3)2 derived from Ru(CF3)Cl(CO)(MeCN)(PPh3)2 and dry HCl gas in benzene solution. RUCl2(CF2)(CO)(PPh3)2 is readily hydrolysed to RuCl2(CO)2(PPh3)2, while Me2NH gives RuCl2(CFNMe2)(CO)(PPh3)2, MeOH gives RuCl2(CFOMe)(CO)(PPh3)2, and ethanediol gives RuCl2()(CO)(PPh3)2.

  Ru（CO）3（PPh 3）2或Ru（CO）2（PPh 3）3与Hg（CF 3）2给出Ru（CF 3）（HgCF 3）（CO）2（PPh 3）2。X射线晶体结构的测定揭示了八面体的几何形状，CF 3基团的Ru结合的平均CF距离比CF 3基团的Hg结合的要长0.1Å 。这和其他RuCF 3络合物诸如Ru（CF 3）氯（CO）2（PPH 3）2与含水酸反应，将CF 3基团转化为CO基团。这些反应涉及二氟卡宾络合物，这种化合物的结晶实例是衍生自Ru（CF 3）Cl（CO）（MeCN）（PPh 3）2和的RuCl 2（CF 2）（CO）（PPh 3）2。在苯溶液中干燥的HCl气体。RUCl 2（CF 2）（CO）（PPh 3）2容易水解为RuCl 2（CO）2（PPh 3）2，而Me 2 NH生成RuCl 2（CFNMe2）（CO）（PPh 3）2，MeOH生成RuCl 2（CFOMe）（CO）（PPh
• Competition between Steric and Electronic Control of Structure in Ru(CO)₂L₂L‘ Complexes
  作者：Masamichi Ogasawara、Feliu Maseras、Nuria Gallego-Planas、Kazumori Kawamura、Kazuhiko Ito、Koichiro Toyota、William E. Streib、Sanshiro Komiya、Odile Eisenstein、Kenneth G. Caulton

  DOI：10.1021/om9700775

  日期：1997.4.1

  simply Ru(η2-O2)(CO)2L2, but for Ru(CO)2(PEt3)3, this is accompanied by an apparent bimolecular electron transfer involving the intact complex to give Ru(CO)(CO3)(PEt3)3. X-ray structure determinations of Ru(CO)2(PEt3)3 (bis equatorial CO in trigonal bipyramid (TBP)), Ru(CO)2(PiPr2Me)3 (two isomers:  bis axial CO in TBP and also square pyramidal), and Ru(η2-PhCCPh)(CO)2(PEt3)2 (cis carbonyls and trans phosphines)

  在THF中存在等摩尔L的情况下，RuCl 2（CO）2 L 2的镁还原得到Ru（CO）2 L 3（L = PPh 3（1），PMePh 2（2），PEt 3（3），P iPr 2 Me（4））。在等摩尔L'（L'= P（2-呋喃基）3（5）或AsPh 3（6））存在下，RuCl 2（CO）2（PEt 3）2相应还原，得到Ru（CO）2（ PET 3）2 L '但给人的Ru（CO）的混合物2（PET 3）3 - ñ大号ñ（ñ = 0-3）物种当L'= PPH 3。比较显示3或5发生反应缓慢地用L ''=（H）2，CO，或光子晶体⋮器CPh形成的Ru（CO）2 L ''（PET 3）2和自由PET 3或P（2-呋喃基）3，但迅速与4或6给出类似产品。对于L'= PEt 3，PhC PhCPh与Ru（CO）2（PEt 3）2 L'的反应比对P（2-呋喃基）3的反应更快。所有这些反应，提出了用L的