2,2-dichloro-1,1,3,3-tetracyclohexyl-1λ5,3λ5-diphospha-2-palladacyclohexane-1,3-bis(ylium)-2,2-diuide

• ChemBase ID: 295087
• Molecular Formular: C27H50Cl2P2Pd
• Molecular Mass: 613.959422
• Monoisotopic Mass: 612.17996622
• SMILES: C1CCC(CC1)[P+]1(CCC[P+]([Pd-2]1(Cl)Cl)(C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: Cl[Pd-2]1(Cl)[P+](CCC[P+]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C27H50P2.2ClH.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;;;/h24-27H,1-23H2;2*1H;/q;;;+2/p-2
• InChIKey: JLEVAMQVDDHWOI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-1,1,3,3-tetracyclohexyl-1λ^5,3λ^5-diphospha-2-palladacyclohexane-1,3-bis(ylium)-2,2-diuide
• IUPAC Traditional name: 2,2-dichloro-1,1,3,3-tetracyclohexyl-1λ^5,3λ^5-diphospha-2-palladacyclohexane-1,3-bis(ylium)-2,2-diuide
• Synonyms: PdCl2(dcypp); [Bis(dicyclohexylphosphino)propane]dibromopalladium(II); Dichloro[bis(dicyclohexylphosphino)propane]palladium(II)

Database IDs

• CAS Number: 1041005-52-0
• PubChem SID: 180680618
• PubChem CID: 58567957

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0381
• LogD (pH = 7.4): 4.0381
• Log P: 4.0381
• Molar Refractivity: 144.6896 cm^3
• Polarizability: 61.691753 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline solid

Safety Information

• TSCA Listed: 否

Product Information

• Purity: Pd 17.3%