bis({di-tert-butyl[4-(dimethylamino)phenyl]phosphaniumyl})palladiumdiuide

• ChemBase ID: 303837
• Molecular Formular: C32H56N2P2Pd
• Molecular Mass: 637.167962
• Monoisotopic Mass: 636.29535906
• SMILES: CC(C)(C)[P+](c1ccc(cc1)N(C)C)(C(C)(C)C)[Pd-2][P+](C(C)(C)C)(c1ccc(cc1)N(C)C)C(C)(C)C
• Canonical SMILES: CN(c1ccc(cc1)[P+](C(C)(C)C)(C(C)(C)C)[Pd-2][P+](C(C)(C)C)(C(C)(C)C)c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/2C16H28NP.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;/h2*9-12H,1-8H3
• InChIKey: SSPOQURGNAWORH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis({di-tert-butyl[4-(dimethylamino)phenyl]phosphaniumyl})palladiumdiuide
• IUPAC Traditional name: bis({di-tert-butyl[4-(dimethylamino)phenyl]phosphaniumyl})palladiumdiuide
• Synonyms: Bis[di-tert-butyl(4-dimethylaminophenyl)phosphine]palladium(0); 双[二叔丁基-(4-二甲基-氨基苯基)磷]钯(0)

Database IDs

• CAS Number: 1233717-68-4
• MDL Number: MFCD15071402

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.3502183
• LogD (pH = 7.4): 7.3503976
• Log P: 7.3504
• Molar Refractivity: 168.215 cm^3
• Polarizability: 69.4136 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 10
• 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: 26-37-60
• 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 16.7%