bis(tricyclohexylphosphaniumyl)palladiumdiuide

• ChemBase ID: 303835
• Molecular Formular: C36H66P2Pd
• Molecular Mass: 667.276762
• Monoisotopic Mass: 666.36746137
• SMILES: C1CCC(CC1)[P+](C1CCCCC1)(C1CCCCC1)[Pd-2][P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[P+](C1CCCCC1)(C1CCCCC1)[Pd-2][P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/2C18H33P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*16-18H,1-15H2
• InChIKey: JGBZTJWQMWZVNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tricyclohexylphosphaniumyl)palladiumdiuide
• IUPAC Traditional name: bis(tricyclohexylphosphaniumyl)palladiumdiuide
• Synonyms: Bis(tricyclohexylphosphine)palladium(0); 双(三环己基磷)钯(0)

Database IDs

• CAS Number: 33309-88-5
• MDL Number: MFCD01073796

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9946
• LogD (pH = 7.4): 5.9946
• Log P: 5.9946
• Molar Refractivity: 171.4934 cm^3
• Polarizability: 73.106125 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 15.9%