[2-(diphenylphosphanyl)ethyl]diphenylphosphane; dichloropalladium

• ChemBase ID: 148315
• Molecular Formular: C26H24Cl2P2Pd
• Molecular Mass: 575.742282
• Monoisotopic Mass: 573.97651539
• SMILES: c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)c1ccccc1.Cl[Pd]Cl
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CCP(c1ccccc1)c1ccccc1.Cl[Pd]Cl
• InChI: InChI=1S/C26H24P2.2ClH.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2
• InChIKey: LDJXFZUGZASGIW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diphenylphosphanyl)ethyl]diphenylphosphane; dichloropalladium
• IUPAC Traditional name: diphos; palladium chloride
• Synonyms: PdCl2(dppe); [1,2-Bis(diphenylphosphino)ethane]dichloropalladium(II); Dichloro[1,2-bis(diphenylphosphino)ethane]palladium(II); [1,2-双(二苯基膦)乙烷]二氯化钯(II); 双(1,2二苯基磷)乙烷二氯化钯(II)

Database IDs

• CAS Number: 19978-61-1
• MDL Number: MFCD00015702
• PubChem SID: 24861302; 162242491
• PubChem CID: 11071931

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8128
• LogD (pH = 7.4): 6.8128
• Log P: 6.8128
• Molar Refractivity: 121.8328 cm^3
• Polarizability: 48.36459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: >360°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 否
• 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: 98%; Pd 18.5%
• Linear Formula: [(C6H5)2PCH2CH2P(C6H5)2]PdCl2

DETAILS

Sigma Aldrich - 345237

Packaging
1, 5 g in glass bottle