8-{[(quinolin-8-yloxy)cuprio]oxy}quinoline

• ChemBase ID: 136742
• Molecular Formular: C18H12CuN2O2
• Molecular Mass: 351.84608
• Monoisotopic Mass: 351.01947513
• SMILES: c1cc2cccnc2c(c1)O[Cu]Oc1cccc2c1nccc2
• Canonical SMILES: [Cu](Oc1cccc2c1nccc2)Oc1cccc2c1nccc2
• InChI: InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
• InChIKey: YXLXNENXOJSQEI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[(quinolin-8-yloxy)cuprio]oxy}quinoline
• IUPAC Traditional name: 8-{[(quinolin-8-yloxy)cuprio]oxy}quinoline
• Synonyms: 8-Hydroxyquinoline copper(II) salt; 8-羟基喹啉 铜(II) 盐

Database IDs

• CAS Number: 13014-03-4
• MDL Number: MFCD00067392
• PubChem SID: 162231012; 24879147
• PubChem CID: 4403158

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.172048
• LogD (pH = 7.4): 3.1755552
• Log P: 3.1756
• Molar Refractivity: 81.4916 cm^3
• Polarizability: 37.691326 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: Cu(C9H6NO)2

DETAILS

Sigma Aldrich - 550795

Packaging
5 g in glass bottle