copper(2+) ion diformate hydrate

• ChemBase ID: 109870
• Molecular Formular: C2H4CuO5
• Molecular Mass: 171.59616
• Monoisotopic Mass: 170.93547073
• SMILES: O.[Cu+2].[O-]C=O.[O-]C=O
• Canonical SMILES: [O-]C=O.[O-]C=O.O.[Cu+2]
• InChI: InChI=1S/2CH2O2.Cu.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
• InChIKey: NOHDJXFJXJZYGO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion diformate hydrate
• IUPAC Traditional name: copper(2+) bis(formira) hydrate; copper(2+) ion diformate hydrate
• Synonyms: CUPRIC FORMATE; Cupric formate; Copper(II) formate tetrahydrate; 四水甲酸铜(II)

Database IDs

• CAS Number: 5893-61-8; 544-19-4
• EC Number: 208-865-8
• MDL Number: MFCD00167128
• Merck Index: 142639
• PubChem SID: 162096320
• PubChem CID: 25021465

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); X; Irritant (Xi)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-37/38-41-50/53; R:36/37/38-58
• Safety Statements: 26-36/37/39-60-61; S:20-25-26-37/39-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Hazard statements: H301-H315-H335-H318-H400-H410
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%