CAS 12246-51-4 Chlorobis(cyclooctene)iridium(I) dimer (HCID 91972094)

基本情報

CAS: 12246-51-4
標準SMILES: C1=C\CCCCCC/1.C1=C\CCCCCC/1.C1=C\CCCCCC/1.C1=C\CCCCCC/1.[Cl-].[Cl-].[Ir].[Ir]
InChIKey: CJJIQMGSHWWMCK-XFCUKONHSA-L
分子式: C32H56Cl2Ir2-2
平均分子量: 896.1 g/mol

名称と識別子

優先名称: Chlorobis(cyclooctene)iridium(I) dimer
IUPAC: cyclooctene;bis(iridium);dichloride
現地名: クロロビス(シクロオクテン)イリジウム(I) (ダイマー)
英語名: BIS(CYCLOOCTENE)IRIDIUM(I) CHLORIDE, DIMER
分子式: C32H56Cl2Ir28*
分子量: 896.13

名称と別名

12246-51-4Cyclooctene;iridium;dichlorideBIS(CYCLOOCTENE)IRIDIUM(I) CHLORIDE, DIMERCHLOROBIS(CYCLOOCTENE)IRIDIUM(I) DIMERChlorobis(cyclooctene)iridium(I)dimerDi-mu-chlorotetrakis(cyclooctene)diiridium(I)C32H56Cl2Ir2-2DTXSID001045899chlorobis(cyclooctene)-iridium(I) dimerCHLOROBIS(CYCLOOCTENE)IRIDIUM DIMERC2985DI-MU-CHLOROBIS(CYCLOOCTENE)IRIDIUM(I)

名称をさらに表示

クロロビス(シクロオクテン)イリジウム(I) (ダイマー)ジ-μ-クロロテトラキス(シクロオクテン)二イリジウム(I)ジ-μ-クロロビス(シクロオクテン)イリジウム(I)ジ(Μ‐クロロ)テトラキス(シクロオクテン)ジイリジウム(I)クロロビス(シクロオクテン)イリジウム(I)二量体クロロビス(シクロオクテン)イリジウム(I)ダイマー, 97%[IrCl(COE)2]2Chlorobis(cyclooctene)iridium(I)Bis(cyclooctene)iridium(I) chlorideBis(cyclooctene)di-μ-chloroiridium(I)Chlorobis(cyclooctene)iridium(Ⅰ) dimerCHLOROBIS(CYCLOOCTENE)IRIDIUM (I) DIMERChlorobis(cyclooctene)iridium(I)Dimer>Chlorobis(cyclooctene)iridium(I)dimer 97%

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 36
形式電荷: -2
複雑度: 62.1

物理化学的性質

融点: 160 · 160-165 °C (dec.) (lit.)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: 有機溶剤に可溶。
外見: 結晶
色: 黄色
InChI: InChI=1S/4C8H14.2ClH.2Ir/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2/b4*2-1-;;;;
InChIKey: WBRREXQCZAFSKS-XFCUKONHSA-L
SMILES: C1CC[CH][CH]CCC1.C1CC[CH][CH]CCC1.C1CC[CH][CH]CCC1.C1CC[CH][CH]CCC1.Cl[Ir].Cl[Ir] |^1:3,4,11,12,19,20,27,28|

化学的性質

化学的特性Yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: No
hs_code: 28439000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Chlorobis(cyclooctene)iridium(I) dime is used as catalyst for Isomerization-hydroboration reactions with nido-carboranyldiphosphine as stabilizing ligand, Hydrogen peroxide oxidation of hydroxamic acids and their subsequent hetero Diels-Alder cycloaddition reactions, Immobilization of organic functional groups onto solid supports through vinylsilane coupling reactions, Alkylation reactions, Guerbet reaction, Allylic amination reactions in a DNA-diene-iridium(I) hybrid system, Asymmetric hydroamination reactions.