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

• ChemBase ID: 145962
• Molecular Formular: C42H42Cl2P2Pd
• Molecular Mass: 786.056402
• Monoisotopic Mass: 784.11736596
• SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl
• Canonical SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cl[Pd]Cl
• InChI: InChI=1S/2C21H21P.2ClH.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: OTYPIDNRISCWQY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloropalladium; bis(tris(2-methylphenyl)phosphane)
• IUPAC Traditional name: palladium chloride; bis(tris(2-methylphenyl)phosphane)
• Synonyms: PdCl2[P(o-Tol)3]2; Dichlorobis(tri-o-tolylphosphine)palladium(II); 二氯双(三-o-甲苯膦)钯(II); 双(三-o-甲苯基膦)二氯化钯(II)

Database IDs

• CAS Number: 40691-33-6
• MDL Number: MFCD00274659
• PubChem SID: 24868751; 162240162
• PubChem CID: 10876480

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: Powder
• Melting Point: 280 °C (dec.)(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: [(CH3C6H4)3P]2PdCl2

DETAILS

Sigma Aldrich - 453048

Packaging
1, 5 g in glass bottle
Application
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsCatalyst for C-C and C-N coupling reaction.