[chloro(naphthalen-1-yl)(triphenyl-$l^{5}-phosphanyl)nickelio]triphenyl-$l^{5}-phosphane

• ChemBase ID: 15949
• Molecular Formular: C46H37ClNiP2
• Molecular Mass: 745.879902
• Monoisotopic Mass: 744.14124502
• SMILES: c1ccc2c(c1)c(ccc2)[Ni](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Canonical SMILES: Cl[Ni](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc2c1cccc2
• InChI: InChI=1S/2C18H15P.C10H7.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10-8-4-3-7-9(10)5-1;;/h2*1-15H;1-7H;1H;/q;;;;-1/p+1
• InChIKey: QSKIVJZTVZFYFP-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: [chloro(naphthalen-1-yl)(triphenyl-$l^{5}-phosphanyl)nickelio]triphenyl-$l^{5}-phosphane
• IUPAC Traditional name: [chloro(naphthalen-1-yl)(triphenyl-$l^{5}-phosphanyl)nickelio]triphenyl-$l^{5}-phosphane
• Synonyms: trans-Chloro(1-naphthyl)bis(triphenylphosphine)-nickel

Database IDs

• CAS Number: 54806-25-6
• MDL Number: MFCD06800434
• PubChem SID: 160979256
• PubChem CID: 45075146

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.9561
• LogD (pH = 7.4): 12.9561
• Log P: 12.9561
• Molar Refractivity: 212.9066 cm^3
• Polarizability: 88.058304 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%