[3-(diphenylphosphanyl)propyl]diphenylphosphane; dichloropalladium

• ChemBase ID: 141492
• Molecular Formular: C27H26Cl2P2Pd
• Molecular Mass: 589.768862
• Monoisotopic Mass: 587.99216545
• SMILES: c1ccc(cc1)P(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.Cl[Pd]Cl
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.Cl[Pd]Cl
• InChI: InChI=1S/C27H26P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
• InChIKey: LDFBXJODFADZBN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diphenylphosphanyl)propyl]diphenylphosphane; dichloropalladium
• IUPAC Traditional name: [3-(diphenylphosphanyl)propyl]diphenylphosphane; palladium chloride
• Synonyms: PdCl2(dippp); Dichloro[1,3-bis(diphenylphosphino)propane]palladium(II); (1,3-Bis(diphenylphosphino)propane)palladium(II) chloride; [1,3-双(二苯基膦)丙烷]二氯化钯(II); (1,3-双(二苯基膦)丙烷)氯化钯(II)

Database IDs

• CAS Number: 59831-02-6
• MDL Number: MFCD03844773
• PubChem SID: 162235726
• PubChem CID: 11017392

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• Molar Refractivity: 126.3902 cm^3
• Polarizability: 50.2117 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: C27H26P2 · PdCl2

DETAILS

Sigma Aldrich - 696676

Packaging
2 g in glass bottle
500 mg in glass bottle