dibromopalladium; bis(tris(2-methylphenyl)phosphane)

• ChemBase ID: 303830
• Molecular Formular: C42H42Br2P2Pd
• Molecular Mass: 874.958402
• Monoisotopic Mass: 872.0163346
• SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd](Br)Br.Cc1ccccc1P(c1ccccc1C)c1ccccc1C
• Canonical SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Br[Pd]Br
• InChI: InChI=1S/2C21H21P.2BrH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
• InChIKey: FKGDXSRZWBHNIC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromopalladium; bis(tris(2-methylphenyl)phosphane)
• IUPAC Traditional name: dibromopalladium; bis(tris(2-methylphenyl)phosphane)
• Synonyms: Dibromobis(tri-o-tolylphosphine)palladium(II); 双(三-o-甲苯基膦)二溴化钯(II)

Database IDs

• CAS Number: 24554-43-6
• MDL Number: MFCD09953447

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5082
• LogD (pH = 7.4): 6.5082
• Log P: 6.5082
• Molar Refractivity: 96.7465 cm^3
• Polarizability: 37.639748 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Solid

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: Pd 12%