bis(benzonitrile); dibromopalladium

• ChemBase ID: 136650
• Molecular Formular: C14H10Br2N2Pd
• Molecular Mass: 472.4706
• Monoisotopic Mass: 469.82455833
• SMILES: c1ccc(cc1)C#N.c1ccc(cc1)C#N.Br[Pd]Br
• Canonical SMILES: N#Cc1ccccc1.N#Cc1ccccc1.Br[Pd]Br
• InChI: InChI=1S/2C7H5N.2BrH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
• InChIKey: OKDHIPXOBPPHTG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(benzonitrile); dibromopalladium
• IUPAC Traditional name: bis(benzonitrile); dibromopalladium
• Synonyms: Bis(benzonitrile)dibromopalladium(II); Bis(benzonitrile)palladium(II) bromide

Database IDs

• CAS Number: 15003-43-7
• MDL Number: MFCD01318329
• PubChem SID: 162230920
• PubChem CID: 11374860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.829342
• LogD (pH = 7.4): 1.829342
• Log P: 1.829342
• Molar Refractivity: 31.7796 cm^3
• Polarizability: 12.177798 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-102 °C

Product Information

• Purity: 95%
• Linear Formula: 2(C6H5CN) · PdBr2

DETAILS

Sigma Aldrich - 741221

包装
1 g in glass bottle