copper(2+) ion diethanolate

• ChemBase ID: 303077
• Molecular Formular: C4H10CuO2
• Molecular Mass: 153.667
• Monoisotopic Mass: 152.99767706
• SMILES: CC[O-].CC[O-].[Cu+2]
• Canonical SMILES: [O-]CC.[O-]CC.[Cu+2]
• InChI: InChI=1S/2C2H5O.Cu/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
• InChIKey: CRCKGIUJMFFISH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion diethanolate
• IUPAC Traditional name: copper(2+) ion bis(ethoxide)
• Synonyms: Copper(II) ethoxide; 乙醇铜(II)

Database IDs

• CAS Number: 2850-65-9
• MDL Number: MFCD00015650

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: ca 120°C dec.

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-22-36/37/38
• Safety Statements: 16-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H302-H315-H319-H335
• GHS Precautionary statements: P210-P280H-P305+P351+P338-P337+P313