bis(tris(2-methylphenyl)phosphane) palladium

• ChemBase ID: 143419
• Molecular Formular: C42H42P2Pd
• Molecular Mass: 715.150402
• Monoisotopic Mass: 714.1796606
• SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd]
• Canonical SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd]
• InChI: InChI=1S/2C21H21P.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
• InChIKey: CUBIJGNGGJBNOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tris(2-methylphenyl)phosphane) palladium
• IUPAC Traditional name: bis(tris(2-methylphenyl)phosphane) palladium
• Synonyms: Bis(tri-o-tolylphosphine)palladium(0); Bis(tris(2-tolyl)phosphine)palladium; Pd[(o-tol)3P]2; Bis[tris(2-methylphenyl)phosphine]palladium; 双(三-o-甲苯磷)钯(0); 双[三(2-甲苯基)膦]合钯

Database IDs

• CAS Number: 69861-71-8
• MDL Number: MFCD12911908
• PubChem SID: 162237639
• PubChem CID: 10952654

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: Crystalline
• Melting Point: 220-225 °C

Safety Information

• Storage Warning: Air Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• Storage Temperature: -20°C

Product Information

• Purity: 97%; Pd 14.9%
• Empirical Formula (Hill Notation): C42H42P2Pd

DETAILS

Sigma Aldrich - 711071

Packaging
500 mg in glass bottle
Application
Catalyst for:
• Palladium-catalyzed cross-coupling reactions1 and aminations2
• Kumada coupling3
• Arylation4
• Heck coupling5