bis[di-tert-butyl(phenyl)phosphaniumyl]palladiumdiuide

• ChemBase ID: 303836
• Molecular Formular: C28H46P2Pd
• Molecular Mass: 551.032362
• Monoisotopic Mass: 550.21096073
• SMILES: CC(C)(C)[P+](c1ccccc1)(C(C)(C)C)[Pd-2][P+](C(C)(C)C)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CC([P+](C(C)(C)C)(c1ccccc1)[Pd-2][P+](C(C)(C)C)(C(C)(C)C)c1ccccc1)(C)C
• InChI: InChI=1S/2C14H23P.Pd/c2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;/h2*7-11H,1-6H3
• InChIKey: KJTQUBRAVOMHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[di-tert-butyl(phenyl)phosphaniumyl]palladiumdiuide
• IUPAC Traditional name: bis[di-tert-butyl(phenyl)phosphaniumyl]palladiumdiuide
• Synonyms: Bis(di-tert-butyl-phenylphosphine)palladium(0); 双(二叔丁基苯基磷)钯(0)

Database IDs

• CAS Number: 52359-17-8
• MDL Number: MFCD15071400

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8216
• LogD (pH = 7.4): 6.8216
• Log P: 6.8216
• Molar Refractivity: 139.3578 cm^3
• Polarizability: 59.767735 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline

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

Product Information

• Purity: Pd 19.3%