dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane

• ChemBase编号: 141957
• 分子式: C26H48P2
• 平均质量: 422.606842
• 单一同位素质量: 422.3231248
• SMILES: C1CCC(CC1)P(CCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C26H48P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
• InChIKey: BOUYBUIVMHNXQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
• IUPAC传统名: dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
• 别名: 1,2-双(二环己基磷基)乙烷; 1,2-双(二环己基膦基)乙烷; 1,2-Ethanediylbis[dicyclohexyl]phosphine; Ethylenebis(dicyclohexylphosphine); 1,2-Bis(dicyclohexylphosphino)ethane

登记号

• CAS号: 23743-26-2
• MDL号: MFCD00015521
• PubChem SID: 24871622; 162236189
• PubChem CID: 534202

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.9894795
• LogD (pH = 7.4): 6.000719
• Log P: 6.918
• 摩尔折射率: 136.2026 cm^3
• 极化性: 51.17676 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Crystalline, Packaged under argon
• 熔点: 92.5-96.5 °C(lit.)
• 闪点: >110 °C; >230 °F
• 作为配体的用途: Decarboxylations; Negishi Coupling; Suzuki-Miyaura Coupling

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: UN1325
• 德国WGK号: 3
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): II
• 危险公开号: 11
• 安全公开号: 33
• TSCA收录: 否
• GHS危险品标识: GHS02
• GHS危险声明: H228
• GHS警示性声明: P210-P241-P280-P240-P370+P378A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 98%
• 线性分子式: (C6H11)2PCH2CH2PC6H11)2

详细说明

Sigma Aldrich - 479500

包装
1, 5 g in glass bottle
Application
Reactant involved in:
• Investigations of the role of ligand-based steric effects during the polymerization1
• Synthesis of molybdenum nitrosyl complexes for use as Imine hydrogenation catalysts2
• Irreversible thermal linkage isomerization of switchable C-N-bound isomers3
• Chelating for conversion of trans complexes to cis complexes4 Precursor for Iridium trisboryl complexes and the substituent effect on borylation reactions5Ligand for palladium(II) complex catalyzed hydrogenation reactions6