CAS 15243-33-1 Triruthenium dodecacarbonyl (HCID 6096991)

基本情報

CAS: 15243-33-1
標準SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru].[Ru]
InChIKey: NQZFAUXPNWSLBI-UHFFFAOYSA-N
分子式: C12O12Ru3
平均分子量: 639.3 g/mol

名称と識別子

優先名称: Triruthenium dodecacarbonyl
IUPAC: carbon monoxide;ruthenium
現地名: トリルテニウムドデカカルボニル
英語名: Ruthenium carbonyl
分子式: C12O12Ru3
分子量: 639.33

名称と別名

Triruthenium dodecacarbonylRefChem:900088DTXCID901473651DTXSID901015348Ruthenium, dodecacarbonyltri, triangulo239-287-415243-33-1EINECS 239-287-4Ruthenium, dodecacarbonyltri-, trianguloRu3(CO)12MFCD00011209Ruthenium dodecacarbonyl

名称をさらに表示

トリルテニウムドデカカルボニルルテニウムカルボニルドデカカルボニル三ルテニウム (0)ドデカカルボニル三ルテニウムDODECACARBONYLTRIRUTHENIUMpentaoxoniumRUTHENIUM CARBONYLRutheniumcarbonyl,99%Ruthenium carbonyl 99%carbon monoxide rutheniumDIRUTHENIUM DODECACARBONYLRuthenium,dodecacarbonyltri-

C12O12Ru3Ru3 (CO)12QAA24333AKOS015916383SY009926T2181dodecakis(methanidylidyneoxidanium) trirutheniumRuthenium carbonyl,; tri-Ruthenium dodecacarbonyl

データベース識別子

CAS: 15243-33-1

物性

構造計算による物性

極性表面積: 12 Å²
水素結合供与体数: 0
水素結合受容体数: 12
回転可能結合数: 0
重原子数: 27
形式電荷: 0
複雑度: 10

実験および物理化学的性質

Chemical ClassesMetals -> Metals, Organic Compounds

Physical DescriptionOrange crystals; [MSDSonline]

物理化学的性質

融点: 150 °C · 150 °C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 炭化水素 (ヘキサン、シクロヘキサン、ベンゼンなど) およびアセトンにわずかに溶けます。
外見: 結晶
色: オレンジ
InChI: InChI=1S/12CO.3Ru/c12*1-2;;;
InChIKey: NQZFAUXPNWSLBI-UHFFFAOYSA-N
SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Ru].[Ru].[Ru]
CAS データベース: 15243 · 15243-33-1(CAS DataBase Reference)
EPAの化学物質情報: Ruthenium, dodecacarbonyltri-, triangulo (15243-33-1)

化学的性質

化学的特性The substance appears as orange plates or powder and is soluble in non-polar organic solvents.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (34.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryToxic by ingestion or inhalation; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (34.3%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 1325
hs_code: 28439000
risk_code: 11-20-2017/11/20
hazard_code: F,Xn
hazard_note: Flammable/Harmful
safety_code: 24/25
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 4 Inhalation
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationRuthenium, dodecacarbonyltri-, triangulo: ACTIVE

応用分野 · 5 件

解説【Ⅱ】ドデカカルボニル三ルテニウム：[Ru3(CO)12]．緑色の結晶．ベンゼン，エーテルに不溶，エタノールに可溶．三つのRuが三角形をなし，Ru-Ru結合をつくり，各Ruに四つのCOが配位した構造をとる．

用途有機合成用触媒。

説明Triruthenium dodecacarbonyl is a metal carbonyl complex, classified as an inorganic compound. Its molecular formula is Ru3(CO)12, with a molecular weight of 639.33. It possesses D3h symmetry and a core composed of a Ru equilateral triangle. Each Ru atom is attached to two axial and two equatorial CO ligands. Unlike triiron dodecacarbonyl, this compound does not contain any bridge bonds. It is commonly employed as a precursor for various organoruthenium compounds.

使用Ruthenium carbonyl is a H-transfer catalyst. It is used in carbonylation catalysis of the allylic amination of unactivated olefins by nitroarenes, reductive carbonylation of mononitro aromatic compounds to carbamates, and as a catalyst for cycloaddition reactions. It is employed as a precursor for the synthesis of Ru nanoparticles. Catalyst used in the intermolecular [3+2+1] cycloaddition of alpha,beta-unsaturated ketones with silylacetylenes and carbon monoxide, to produce alpha-pyrones. Catalyzes the coupling of silanes with thiols, alcohols and amines with high turnover number (TON) and high turnover frequency (TOF).

一般的な説明Atomic number of base material: 44 Ruthenium