[2-(2-aminophenyl)phenyl](chloro)palladium; triphenylphosphane

• ChemBase ID: 144566
• Molecular Formular: C30H25ClNPPd
• Molecular Mass: 572.372961
• Monoisotopic Mass: 571.04480012
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(c(c1)c1ccccc1[Pd]Cl)N
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Pd]c1ccccc1c1ccccc1N
• InChI: InChI=1S/C18H15P.C12H10N.ClH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h1-15H;1-6,8-9H,13H2;1H;/q;;;+1/p-1
• InChIKey: RNURSGDBDHOTOE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-aminophenyl)phenyl](chloro)palladium; triphenylphosphane
• IUPAC Traditional name: [2-(2-aminophenyl)phenyl](chloro)palladium; triphenylphosphine
• Synonyms: Chloro(triphenylphosphine) [2-(2′-amino-1,1′-biphenyl)]palladium(II)

Database IDs

• CAS Number: 847616-84-6
• MDL Number: MFCD20527202
• PubChem SID: 162238778
• PubChem CID: 71311102

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 218-220 °C

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C30H25ClNPPd

DETAILS

Sigma Aldrich - 752762

Packaging
1 g in glass bottle
250 mg in glass bottle