bis(chloro(methyl)palladium); bis(triphenylphosphane)

• ChemBase ID: 143461
• Molecular Formular: C38H36Cl2P2Pd2
• Molecular Mass: 838.385962
• Monoisotopic Mass: 835.97390177
• SMILES: C[Pd]Cl.C[Pd]Cl.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C[Pd]Cl.C[Pd]Cl
• InChI: InChI=1S/2C18H15P.2CH3.2ClH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h2*1-15H;2*1H3;2*1H;;/q;;;;;;2*+1/p-2
• InChIKey: PGIKTGQTFCLCET-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chloro(methyl)palladium); bis(triphenylphosphane)
• IUPAC Traditional name: bis(chloro(methyl)palladium); bis(triphenylphosphine)
• Synonyms: Di-μ-chlorodimethylbis(triphenylphosphine)dipalladium; 二-μ-氯二甲基双(三苯基膦)二钯

Database IDs

• CAS Number: 149869-56-7
• PubChem SID: 162237680
• PubChem CID: 15800749

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 216-220 °C

Safety Information

• German water hazard class: nwg

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C38H36Cl2P2Pd2

DETAILS

Sigma Aldrich - 729310

Packaging
1 g in glass bottle
250 mg in glass bottle