copper(2+) ion diacetate

• ChemBase ID: 126696
• Molecular Formular: C4H6CuO4
• Molecular Mass: 181.63404
• Monoisotopic Mass: 180.95620617
• SMILES: [Cu+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Cu+2]
• InChI: InChI=1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: OPQARKPSCNTWTJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion diacetate
• IUPAC Traditional name: copper(2+) ion diacetate
• Synonyms: Cupric acetate,Copper Acetate; Copper(II) acetate; Copper(II) acetate; Cupric acetate anhydrous; Copper(II) acetate, anhydrous; 醋酸铜(II),无水; 醋酸铜(II); 醋酸铜(II), 无水

Database IDs

• CAS Number: 142-71-2
• EC Number: 205-553-3
• MDL Number: MFCD00008690
• Merck Index: 142624
• PubChem SID: 162221024
• PubChem CID: 8895
• Chemspider ID: 8555
• Unique Ingredient Identifier: 39M11XPH03
• Wikipedia Title: Copper(II)_acetate

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: monohydrate: ; 7.2 g/100 mL (cold water) ; 20 g/100 mL (hot water); Soluble in alcohol; Slightly soluble in ether and glycerol
• Apperance: Dark green crystalline solid; Powder
• Melting Point: 115°C
• Boiling Point: 240°C
• Flash Point: Non-flammable
• Density: 1.882 g/cm^3 (monohydrate)
• Refractive Index: 1.545 (monohydrate)
• Odor: odorless (monohydrate)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: AG3480000
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36/37/38-50/53; 22-41-50/53
• Safety Statements: 26-36/37/39-60-61; 26-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• NFPA704:
  

  0

  2

  0
• LD50: 710mg/kg oral rat
• GHS Hazard statements: H301-H318-H400-H410
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P321-P405-P501A

Product Information

• Purity: 95+%; 98%; 99.999% (metals basis)