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

• ChemBase ID: 136713
• Molecular Formular: C20H16N2O2Zn
• Molecular Mass: 381.73324
• Monoisotopic Mass: 380.05031976
• SMILES: Cc1ccc2cccc(c2n1)[O-].[O-]c1cccc2c1nc(cc2)C.[Zn+2]
• Canonical SMILES: Cc1ccc2c(n1)c([O-])ccc2.Cc1ccc2c(n1)c([O-])ccc2.[Zn+2]
• InChI: InChI=1S/2C10H9NO.Zn/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2*2-6,12H,1H3;/q;;+2/p-2
• InChIKey: ZTPMNXZOPFKOIV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(2-methylquinolin-8-olate)
• IUPAC Traditional name: zinc(2+) ion bis(2-methylquinolin-8-olate)
• Synonyms: Bis(2-methyl-8-hydroxyquinolinato)zinc; 二(2-甲基-8-羟基喹啉)锌

Database IDs

• CAS Number: 14128-73-5
• MDL Number: MFCD03093700
• PubChem SID: 24878368; 162230983
• PubChem CID: 67132017

CALCULATED PROPERTIES

• Acid pKa: 9.375134
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6988455
• LogD (pH = 7.4): 1.9469893
• Log P: 1.9587053
• Molar Refractivity: 57.102 cm^3
• Polarizability: 19.088238 Å^3
• Polar Surface Area: 35.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 285-290 °C(lit.)
• Fluorescence: λex 266 nm; λem 554 nm in acetonitrile

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%
• Empirical Formula (Hill Notation): C20H16N2O2Zn

DETAILS

Sigma Aldrich - 538949

General description
Light-emitting metal complex