tetrakis((Z)-cyclooctene); bis(chloroiridium)

• ChemBase编号: 148033
• 分子式: C32H56Cl2Ir2
• 平均质量: 896.12704
• 单一同位素质量: 896.30175915
• SMILES: C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.Cl[Ir].Cl[Ir]
• Canonical SMILES: C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Ir]Cl.[Ir]Cl
• 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

名称和登记号

名称

• IUPAC标准名: tetrakis((Z)-cyclooctene); bis(chloroiridium); bis(chloroiridium); tetrakis(cyclooctene)
• IUPAC传统名: bis(chloroiridium); tetrakis(cyclooctene)
• 别名: 二-μ-氯四(环辛烯)二铱; 氯二(环辛烯)铱(I)二聚体; Di-μ-chlorotetrakis(cyclooctene)diiridium; Chlorobis(cyclooctene)iridium(I)dimer; Di-?-chlorobis(cyclooctene)iridium(I); Chlorobis(cyclooctene)iridium(I) dimer

登记号

• CAS号: 12246-51-4
• MDL号: MFCD00213465
• PubChem SID: 24863496

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1946278
• LogD (pH = 7.4): 3.1946278
• Log P: 3.1946278
• 摩尔折射率: 37.9246 cm^3
• 极化性: 14.547113 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 160-165 °C (dec.)(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37; 26-37/39
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%; Ir nominally 42.9%
• Empirical Formula (Hill Notation): C32H56Cl2Ir2

详细说明

Sigma Aldrich - 377155

包装
1, 5 g in glass bottle
250 mg in glass bottle
Application
Catalyst for:
• Isomerization-hydroboration reactions with nido-carboranyldiphosphine as stabilizing ligand1
• Hydrogen peroxide oxidation of hydroxamic acids and their subsequent hetero Diels-Alder cycloaddition reactions2
• Immobilization of organic functional groups onto solid supports through vinylsilane coupling reactions3
• Alkylation reactions4
• Guerbet reaction5
• Allylic amination reactions in a DNA-diene-iridium(I) hybrid system6
• Asymmetric hydroamination reactions7