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

• ChemBase ID: 296350
• Molecular Formular: C27H26Cl2P2Pd
• Molecular Mass: 589.768862
• Monoisotopic Mass: 587.99216545
• 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/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: 2,2-dichloro-1,1,3,3-tetraphenyl-1λ^5,3λ^5-diphospha-2-palladacyclohexane-1,3-bis(ylium)-2,2-diuide
• IUPAC Traditional name: 2,2-dichloro-1,1,3,3-tetraphenyl-1λ^5,3λ^5-diphospha-2-palladacyclohexane-1,3-bis(ylium)-2,2-diuide
• Synonyms: [1,3-Bis(diphenylphosphino)propane]dichloropalladium(II); Dichloro[bis(1,3-diphenylphosphino)propane]palladium(II); 双(1,3-二苯基膦)丙基二氯化钯 (II)

Database IDs

• CAS Number: 59831-02-6
• MDL Number: MFCD03844773
• PubChem SID: 180681881
• PubChem CID: 59900806

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.1339
• LogD (pH = 7.4): 8.1339
• Log P: 8.1339
• Molar Refractivity: 138.9708 cm^3
• Polarizability: 58.59833 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• 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