nickel(2+) ion bis(hydroxymethanide) bis(triphenylphosphane)

• ChemBase ID: 303315
• Molecular Formular: C38H32NiO2P2
• Molecular Mass: 641.300402
• Monoisotopic Mass: 640.12309642
• SMILES: [C-]#[OH].[C-]#[OH].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Ni+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[OH]#[C-].[OH]#[C-].[Ni+2]
• InChI: InChI=1S/2C18H15P.2CO.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;/h2*1-15H;;;/q;;2*-1;+2
• InChIKey: MCBASOAVKGVRCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(hydroxymethanide) bis(triphenylphosphane)
• IUPAC Traditional name: nickel(2+) ion bis(hydroxymethanide) bis(triphenylphosphine)
• Synonyms: Bis(triphenylphosphine)dicarbonylnickel; 双(三苯基膦)二羰基镍

Database IDs

• CAS Number: 13007-90-4
• EC Number: 235-851-9
• MDL Number: MFCD00009591
• Merck Index: 141304

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: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 210-215°C dec.

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN3466
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 23/24/25
• Safety Statements: 4-9-20-27-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H300-H310-H330
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A

Product Information

• Purity: 98%