dichloropalladium; bis(triethylphosphane)

• ChemBase ID: 140285
• Molecular Formular: C12H30Cl2P2Pd
• Molecular Mass: 413.640122
• Monoisotopic Mass: 412.02346558
• SMILES: CCP(CC)CC.CCP(CC)CC.Cl[Pd]Cl
• Canonical SMILES: CCP(CC)CC.CCP(CC)CC.Cl[Pd]Cl
• InChI: InChI=1S/2C6H15P.2ClH.Pd/c2*1-4-7(5-2)6-3;;;/h2*4-6H2,1-3H3;2*1H;/q;;;;+2/p-2
• InChIKey: ULYNIEUXPCUIEL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloropalladium; bis(triethylphosphane)
• IUPAC Traditional name: palladium chloride; bis(triethylphosphine)
• Synonyms: Bis(triethylphosphine)palladium dichloride; Dichlorobis(triethylphosphine)palladium(II); 双(三乙基膦)二氯化钯(II)

Database IDs

• CAS Number: 28425-04-9
• MDL Number: MFCD00191831
• PubChem SID: 162234529; 24865887
• PubChem CID: 11144124

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.91666883
• LogD (pH = 7.4): 0.979991
• Log P: 1.7648
• Molar Refractivity: 41.0508 cm^3
• Polarizability: 14.511799 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139-142 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: [(C2H5)3P]2PdCl2

DETAILS

Sigma Aldrich - 414050

Packaging
1 g in glass bottle