nickel(2+) ion [3-(diphenylphosphanyl)propyl]diphenylphosphane dichloride

• ChemBase ID: 286702
• Molecular Formular: C27H26Cl2NiP2
• Molecular Mass: 542.042262
• Monoisotopic Mass: 540.02402235
• SMILES: P(CCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ni+2].[Cl-].[Cl-]
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ni+2]
• InChI: InChI=1S/C27H26P2.2ClH.Ni/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: ZBQUMMFUJLOTQC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion [3-(diphenylphosphanyl)propyl]diphenylphosphane dichloride
• IUPAC Traditional name: nickel(2+) ion [3-(diphenylphosphanyl)propyl]diphenylphosphane dichloride
• Synonyms: 1,3-Bis(diphenylphosphino)propane nickel(II)chloride

Database IDs

• CAS Number: 15629-92-2
• MDL Number: MFCD00015318
• PubChem SID: 180672233
• PubChem CID: 9850305

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• Molar Refractivity: 126.3902 cm^3
• Polarizability: 50.2117 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%