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

• ChemBase ID: 68570
• Molecular Formular: C26H24Cl2NiP2
• Molecular Mass: 528.015682
• Monoisotopic Mass: 526.00837229
• SMILES: [Ni+2].C(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CCP(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ni+2]
• InChI: InChI=1S/C26H24P2.2ClH.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2
• InChIKey: XXECWTBMGGXMKP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion [2-(diphenylphosphanyl)ethyl]diphenylphosphane dichloride
• IUPAC Traditional name: nickel(2+) ion diphos dichloride
• Synonyms: 1,2-Bis(diphenylphosphino)ethane nickel(II) chloride; 1,2-Bis(diphenylphosphino)ethane nickel(II) chloride; Dichloro[bis(1,2-diphenylphosphino)ethane]nickel(II); 双(二苯基膦)乙基二氯化镍(II)

Database IDs

• CAS Number: 14647-23-5
• MDL Number: MFCD00013313
• PubChem SID: 162034301
• PubChem CID: 9871585

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8128
• LogD (pH = 7.4): 6.8128
• Log P: 6.8128
• Molar Refractivity: 121.8328 cm^3
• Polarizability: 48.36459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 263-265°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 36/37/38-40-43
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H315-H319-H317-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 98%