1,10-phenanthroline; dichloropalladium

• ChemBase编号: 149888
• 分子式: C12H8Cl2N2Pd
• 平均质量: 357.53132
• 单一同位素质量: 355.90993963
• SMILES: c1cc2ccc3cccnc3c2nc1.Cl[Pd]Cl
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.Cl[Pd]Cl
• InChI: InChI=1S/C12H8N2.2ClH.Pd/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
• InChIKey: YGAISFRMWCCXCG-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 1,10-phenanthroline; dichloropalladium
• IUPAC传统名: palladium chloride; phen
• 别名: 二氯(1,10-菲咯啉)钯(II); Dichloro(1,10-phenanthroline)palladium(II)

登记号

• CAS号: 14783-10-9
• MDL号: MFCD00192008
• PubChem SID: 162244050; 24864767
• PubChem CID: 499417

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• 摩尔折射率: 53.9006 cm^3
• 极化性: 23.776546 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3

产品相关信息

• Empirical Formula (Hill Notation): C12H8Cl2N2Pd

详细说明

Sigma Aldrich - 398799

包装
1 g in glass bottle
Application
Catalyst for:
• Carbonylation of alkyl nitrites1
• Arylation reactions2
• Multiple acetylene insertions under Sonogashira reaction protocol3
• Cross-coupling reactions of pyridine carboxylic acid chlorides with alkylzinc reagents4
• Hydrophosphinylation of alkenes and alkynes5
• Heck reaction6
• Regioselective and stereoselective aminohalogenation reactions7
• Reaction of chloroenynes and chlorodienes with Grignard reagents for the synthesis of stereodefined enynes and dienes8
• Affects the aggregation of human prion protein PrP106-1269