bis([2-(diphenylphosphanyl)phenyl]diphenylphosphane); dichloroiron

• ChemBase编号: 143284
• 分子式: C60H48Cl2FeP4
• 平均质量: 1019.669164
• 单一同位素质量: 1018.14329092
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.Cl[Fe]Cl
• Canonical SMILES: c1ccc(c(c1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.c1ccc(c(c1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cl[Fe]Cl
• InChI: InChI=1S/2C30H24P2.2ClH.Fe/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h2*1-24H;2*1H;/q;;;;+2/p-2
• InChIKey: LSSVPSLVWGKHSR-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis([2-(diphenylphosphanyl)phenyl]diphenylphosphane); dichloroiron
• IUPAC传统名: bis([2-(diphenylphosphanyl)phenyl]diphenylphosphane); ferrous chloride
• 别名: [FeCl2bis(dpbz)]; 1,2-Phenylenebis[diphenyl]phosphine iron complex; FeCl2(dppbz)2; [FeCl2bis(dppbz)]

登记号

• CAS号: 101566-80-7
• MDL号: MFCD16621441
• PubChem SID: 162237505
• PubChem CID: 25199028

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.1666
• LogD (pH = 7.4): 8.1666
• Log P: 8.1666
• 摩尔折射率: 137.1878 cm^3
• 极化性: 54.295105 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 228-236 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C60H48Cl2FeP4

详细说明

Sigma Aldrich - 716146

Application
Catalyst for Negishi coupling1,2,3 and Suzuki coupling4.
Catalyst for:
• Negishi coupling of alkyl halides with arylaluminum reagents1
• Fluoroaromatic coupling reactions2
• Negishi coupling of benzyl halides and phosphates3
包装
500 mg in glass bottle