zinc(2+) ion bis(quinolin-8-olate)

• ChemBase ID: 303738
• Molecular Formular: C18H12N2O2Zn
• Molecular Mass: 353.68008
• Monoisotopic Mass: 352.01901963
• SMILES: c1cc2cccnc2c(c1)[O-].c1cc2cccnc2c(c1)[O-].[Zn+2]
• Canonical SMILES: [O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Zn+2]
• InChI: InChI=1S/2C9H7NO.Zn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
• InChIKey: HTPBWAPZAJWXKY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(quinolin-8-olate)
• IUPAC Traditional name: zinc(2+) ion bis(quinolin-8-olate)
• Synonyms: 8-Hydroxyquinolinezinc; Zinc 8-hydroxyquinolinate; Bis(8-hydroxyquinolinato)zinc; 双(8-羟基喹啉)锌

Database IDs

• CAS Number: 13978-85-3
• EC Number: 237-762-0
• MDL Number: MFCD00065291

CALCULATED PROPERTIES

• Acid pKa: 9.3576975
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7469306
• LogD (pH = 7.4): 1.8207314
• Log P: 1.8273351
• Molar Refractivity: 52.5105 cm^3
• Polarizability: 17.32436 Å^3
• Polar Surface Area: 35.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 151°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%