1,10-phenanthroline; dichloropalladium

• ChemBase ID: 149888
• Molecular Formular: C12H8Cl2N2Pd
• Molecular Mass: 357.53132
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline; dichloropalladium
• IUPAC Traditional name: palladium chloride; phen
• Synonyms: Dichloro(1,10-phenanthroline)palladium(II); 二氯(1,10-菲咯啉)钯(II)

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• Molar Refractivity: 53.9006 cm^3
• Polarizability: 23.776546 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C12H8Cl2N2Pd

DETAILS

Sigma Aldrich - 398799

Packaging
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