tris(2,2,6,6-tetramethyl-3,5-heptanedionato)ruthenium(III) | 38625-54-6

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钌
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tris(2,2,6,6-tetramethyl-3,5-heptanedionato)ruthenium(III)
• 英文别名: tris(2,2,6,6-tetramethylheptane-3,5-dionato)ruthenium(III)；[ruthenium tris(2,2,6,6-tetramethyl-3,5-heptadionate)]；[Ru(2,2,6,6-tetramethylheptanedionato)3]；ruthenium(III) dipivaloylmethanate；Ru(2,2,6,6-tetramethyl-3,5-heptanedione(-1H))3；tris(tetramethyl-heptanedionato)ruthenium(III)；ruthenium(3+);2,2,6,6-tetramethylheptane-3,5-dione
• CAS: 38625-54-6
• 化学式: C₃₃H₅₇O₆Ru
• 分子量: 650.882
• InChiKey: WXGKSRSLGTVQSA-UHFFFAOYSA-N

物化性质

• 熔点：
  200-203 °C
• 沸点：
  250°C
• 闪点：
  250°C
• 稳定性/保质期：
  常规情况下不会分解，也没有任何危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• TSCA：
  No
• 危险品标志：
  N
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2914190090
• 储存条件：
  密封、阴凉、干燥保存。

SDS

Name:	Tris(2 2 6 6-Tetramethyl-3 5-Heptanedionato)Ruthenium(III) Material Safety Data Sheet
Synonym:	None Known
CAS:	38625-54-6

Section 1 - Chemical Product MSDS Name:Tris(2 2 6 6-Tetramethyl-3 5-Heptanedionato)Ruthenium(III) Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
38625-54-6	Tris(2,2,6,6-Tetramethyl-3,5-Heptanedi	ca. 100	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 38625-54-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 200 - 203 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 0.3g/100ml
Specific Gravity/Density:
Molecular Formula: C33H57O6Ru
Molecular Weight: 650.88

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 38625-54-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tris(2,2,6,6-Tetramethyl-3,5-Heptanedionato)Ruthenium(III) - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 38625-54-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 38625-54-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 38625-54-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  tris(2,2,6,6-tetramethyl-3,5-heptanedionato)ruthenium(III) 在 氢气 作用下， 生成 钌
  参考文献：
  名称：

  Morozova, N. B.; Mit'kin, V. N.; Igumenov, I. K., Koordinatsionnaya Khimiya, 1989, vol. 15, p. 67 - 72

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 、 三氯化钌 在 potassium hydrogencarbonate 作用下， 以 乙醇 、 水 为溶剂， 以30.3%的产率得到tris(2,2,6,6-tetramethyl-3,5-heptanedionato)ruthenium(III)
  参考文献：
  名称：

  从“钌蓝”溶液合成 β-二酮的钌 (III) 和钌 (II) 络合物的新方法

  摘要：

  通过用乙醇还原水合三氯化钌 (III) 获得的蓝色溶液可用作合成几种三 (β-二酮) 钌 (III) 和三 (β-二酮) 钌 (II) 配合物的方便起始材料。配体上取代基的哈米特常数可作为选择操作条件的有用指南。

  DOI：

  10.1246/cl.1984.437

文献信息

• A new synthetic method for ruthenium complexes of β-diketones from ‘ruthenium blue solution’ and their properties
  作者：Akira Endo、Masatsugu Kajitani、Masao Mukaida、Kunio Shimizu、Gen.P. Satŏ

  DOI：10.1016/s0020-1693(00)87620-3

  日期：1988.10

  The ‘ruthenium blue solution’ obtained by reducing hydrated ruthenium(III) trichloride with ethanol was used a convenient starting material in the synthesis of thirteen tris(β-diketonato)ruthenium (III) and six tris(β-diketonato)ruthenate(II) complexes. The procedure of preparing the ‘ruthenium blue solution’ requires no catalyst and is much simpler than the previous methods. A variety of complexes

  通过用乙醇还原水合三氯化钌（III）获得的“钌蓝溶液”被用作合成十三种三（β-二酮基）钌（III）和六种三（β-二酮基）钌（II）的便捷原料复合体。制备“钌蓝溶液”的过程不需要催化剂，而且比以前的方法简单得多。在条件变化很小的情况下，以高收率合成了各种配合物。配体上取代基的哈米特常数可为选择制备β-取代配合物的操作条件提供有用的指导。具有β-取代的配体的复合物的产率相对较低，因为在β-位存在大量取代基会降低游离配体的烯醇形式的比例。熔点，测量了TLC，UV-Vis，IR和1 H NMR光谱中的R f值。讨论了取代基对这些性质的影响。
• Electrochemical Reduction of Some Tris(β-diketonato)ruthenium(III) Complexes in Acetonitrile and Interaction of the Reduced Anions with Lithium and Sodium Ions
  作者：Akira Endo

  DOI：10.1246/bcsj.56.2733

  日期：1983.9

  ligands. In some cases, the polarogram and the cyclic voltammogram were shifted to more positive potentials in the presence of lithium or sodium ions. This effect was explained quantitatively by the two-step association between the reduction product, [Ru(R1–CO–CR2–CO–R3)3]−, and alkali metal ions. The association constants were calculated. The K2 values were appreciable and the K1 values were much larger

  在四乙基高氯酸铵-乙腈溶液中，[Ru(R1–CO–CR2–CO–R3)3] (R1,R3=–CH3, –CF3, –C6H5, –C( )3; R2=–H, – ) 在下降的汞电极处可逆地还原为相应的一价阴离子。发现半波电位与配体取代基的哈米特常数之和之间存在线性关系。在某些情况下，极谱图和循环伏安图在锂或钠离子存在的情况下转移到更正的电位。这种效应可以通过还原产物 [Ru(R1-CO-CR2-CO-R3)3]- 和碱金属离子之间的两步结合来定量解释。计算结合常数。K2 值是可观的，K1 值远大于简单静电相互作用的预期值。此外，K1 值与配体取代基的哈米特常数之和呈线性相关。这些结果表明局部电荷分布对复杂阴离子的重要性......
• Study of temperature dependencies of saturated vapor pressure of ruthenium(III) beta-diketonate derivatives
  作者：N. B. Morozova、K. V. Zherikova、P. P. Semyannikov、S. V. Trubin、I. K. Igumenov

  DOI：10.1007/s10973-009-0309-8

  日期：2009.11

  Complexes of ruthenium(III) with the following beta-diketones: 2,4-pentanedione (Ru(acac)3), 1,1,1-trifluoro-2,4-pentanedione (Ru(tfac)3), 2,2,6,6-tetramethyl-3,5-heptanedione (Ru(thd)3), 2,2,6,6–tetramethyl-4-fluoro-3,5-heptanedione (Ru(tfhd)3) and 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione (Ru(ptac)3) were synthesized and identified by means of mass spectrometry. By effusion Knudsen method with

  钌（III）与以下β-二酮的配合物：2,4-戊二酮（Ru（acac）3），1,1,1-三氟-2,4-戊二酮（Ru（tfac）3），2,2 ，6,6-四甲基-3,5-庚二酮（Ru（thd）3），2,2,6,6-四甲基-4-氟-3,5-庚二酮（Ru（tfhd）3）和1,1合成并通过质谱法鉴定了1，1-三氟-5，5-二甲基-2，4-己二酮（Ru（ptac）3）。用气相色谱质谱法登记的喷射克努森方法，测量了钌（III）化合物的饱和蒸气压的温度依赖性，以及汽化过程的焓ΔH T *和熵的热力学特征。 确定了\（\ Updelta S ^ \ text o}} _ T *} \）。
• Synthesis, Characterization, and Detailed Electrochemistry of Binuclear Ruthenium(III) Complexes Bridged by Bisacetylacetonate. Crystal and Molecular Structures of [{Ru(acac)₂}₂(tae)] (acac = 2,4-Pentanedionate Ion, tae = 1,1,2,2-Tetraacetylethanate Dianion)
  作者：Tomohiro Koiwa、Yuki Masuda、Junpei Shono、Yuji Kawamoto、Yoshimasa Hoshino、Takeshi Hashimoto、Karuppannan Natarajan、Kunio Shimizu

  DOI：10.1021/ic030216c

  日期：2004.10.1

  investigation on the electrochemistry of the binuclear complexes has been carried out. The electrochemical behavior details of the binuclear complexes have been compared with those of the mononuclear complexes obtained from the half-structures of the corresponding binuclear complexes. Studies on the effects of solvents on the mixed-valence states of Ru(II)-Ru(III) and Ru(III)-Ru(IV) complexes have been carried

  双核β-二酮基钌（III）络合物[[Ru（acac）（2）]（2）（tae）]，[[Ru（phpa）（2）]（2）（tae）]和[（acac）（ 2）Ru（tae）Ru（phpa）（2）]和双核和单核联吡啶复合物[[Ru（bpy）（2）]（2）（tae）]（PF（6））（2）和[Ru（ bpy）（2）（Htae）] PF（6）（acac = 2,4-戊二酸根离子，phpa = 2,2,6,6-四甲基-3,5-庚二酸根离子，tae = 1,1,2，合成了2-四乙酰基乙酸酯二价阴离子和bpy = 2,2'-联吡啶。新的配合物已通过（1）NMR，MS和电子光谱数据进行了表征。[[Ru（acac）（2）]（2）（tae）]的晶体和分子结构已通过单晶X射线衍射研究解决。[[Ru（acac）（2）]（2）（tae）]的内消旋异构体的晶体数据已通过二面角结果确认，桥接的tae配体的两个乙酰丙酮单元几乎彼
• ——
  作者：M. Lashdaf、T. Hatanpää、M. Tiitta

  DOI：10.1023/a:1011549130134

  日期：——

  Ruthenium, palladium and platinum complexes of 2,2,6,6-tetramethyl-3,5-heptanedione (thd) and ruthenium tris acetylacetonate (acac) were synthetized and studied with TG, DTA, DSC and MS methods. Thermal properties of ruthenocene were also studied. The platinum thd complex has the highest volatility despite the second highest molecular mass of the complex. All the complexes sublimed under reduced pressure. Ru(acac)3 decomposed during sublimation under atmospheric pressure of nitrogen whereas the other compounds studied sublimed also under these conditions. Pd(thd)(2) reduced under atmospheric pressure of H-2/N-2 (5% H-2) whereas the ruthenium complexes were not reduced. The field desorption mass spectra of complexes showed only the molecular peaks and no fragmentation occurred.