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

• ChemBase ID: 149262
• Molecular Formular: C18H12N2O2Zn
• Molecular Mass: 353.68008
• Monoisotopic Mass: 352.01901963
• SMILES: c1cc2cccnc2c(c1)O[Zn]Oc1cccc2c1nccc2
• Canonical SMILES: [Zn](Oc1cccc2c1nccc2)Oc1cccc2c1nccc2
• 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: 8-{[(quinolin-8-yloxy)zincio]oxy}quinoline
• IUPAC Traditional name: 8-{[(quinolin-8-yloxy)zincio]oxy}quinoline
• Synonyms: Zinc 8-hydroxyquinolinate; Zinc oxinate; Znq; Bis-(8-hydroxyquinolinato)zinc; 8-Hydroxyquinoline zinc; 双(8-羟基喹啉)锌; 8-羟基喹啉锌盐

Database IDs

• CAS Number: 13978-85-3
• EC Number: 237-762-0
• MDL Number: MFCD00065291
• PubChem SID: 24870759; 162243430
• PubChem CID: 3285712

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: 37.75494 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >350 °C(lit.)
• Absorption Wavelength: λmax 255 nm
• Fluorescence: λex 325 nm; λem 484 nm in chloroform

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: 99%
• OLED Device Performance: ITO/TPD/Znq/Mg:In1• Color: yellow• Max. Luminance: 16200 Cd/m2
• Empirical Formula (Hill Notation): C18H12N2O2Zn

DETAILS

Sigma Aldrich - 471755

Packaging
5, 25 g in glass bottle