[4-(diphenylphosphanyl)butyl]diphenylphosphane; dichloropalladium

• ChemBase ID: 139544
• Molecular Formular: C28H28Cl2P2Pd
• Molecular Mass: 603.795442
• Monoisotopic Mass: 602.00781552
• SMILES: c1ccc(cc1)P(CCCCP(c1ccccc1)c1ccccc1)c1ccccc1.Cl[Pd]Cl
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.Cl[Pd]Cl
• InChI: InChI=1S/C28H28P2.2ClH.Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h1-12,15-22H,13-14,23-24H2;2*1H;/q;;;+2/p-2
• InChIKey: JQXJBXVWVPVTOO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(diphenylphosphanyl)butyl]diphenylphosphane; dichloropalladium
• IUPAC Traditional name: [4-(diphenylphosphanyl)butyl]diphenylphosphane; palladium chloride
• Synonyms: Dichloro[bis(1,4-diphenylphosphino)butane]palladium(II); PdCl2(dppb); Dichloro-1,4-bis(diphenylphosphino)butane-palladium(II); Palladium(II) chloride 1,4-bis(diphenylphosphino)butane complex; 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride; 双(1,4-联苯膦)丁基二氯化钯(II); 1,4-双(二苯基膦)丁烷-二氯化钯(II); 1,4-双(二苯基膦)丁烷-氯化钯(II)络合物; 1,4-双(二苯基膦)丁烷-氯化钯(II)

Database IDs

• CAS Number: 29964-62-3
• MDL Number: MFCD02093437
• PubChem SID: 162233792; 24889744
• PubChem CID: 10974057

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.6054
• LogD (pH = 7.4): 7.6054
• Log P: 7.6054
• Molar Refractivity: 131.0348 cm^3
• Polarizability: 52.058743 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Lump

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0%; Pd 17.6%
• Empirical Formula (Hill Notation): C28H28Cl2P2Pd

DETAILS

Sigma Aldrich - 92877

Application
catalyst for coupling reactions
Other Notes
Palladium-catalyzed cross-coupling and coupling reactions 1,2
Packaging
250 mg in poly bottle