copper(2+) ion copperdiol carbonate

• ChemBase ID: 158675
• Molecular Formular: CH2Cu2O5
• Molecular Mass: 221.11558
• Monoisotopic Mass: 219.84941816
• SMILES: C(=O)([O-])[O-].O[Cu]O.[Cu+2]
• Canonical SMILES: [O-]C(=O)[O-].O[Cu]O.[Cu+2]
• InChI: InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+2;;/p-4
• InChIKey: ZMMDPCMYTCRWFF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion copperdiol carbonate
• IUPAC Traditional name: copper(2+) ion copperdiol carbonate
• Synonyms: Cupric carbonate basic; Copper(II) carbonate basic; 盐基性碳酸铜; 碱式碳酸铜

Database IDs

• CAS Number: 12069-69-1
• EC Number: 235-113-6
• MDL Number: MFCD00010976
• PubChem SID: 24882067; 24847842; 24852478; 162252811
• PubChem CID: 10922056

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: GL6910000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥50% Cu basis; ≥95% (RT); 54-57% Cu basis
• Grade: CP; puriss.; purum p.a.; reagent grade
• Cation Traces: Ca: ≤5000 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Fe: ≤100 mg/kg; Fe: ≤200 mg/kg; K: ≤100 mg/kg; Na: ≤5000 mg/kg; Ni: ≤50 mg/kg; Ni: ≤500 mg/kg; Pb: ≤50 mg/kg; Zn: ≤100 mg/kg; Zn: ≤1000 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤1000 mg/kg; sulfate (SO42-): ≤200 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Appearance: green
• Linear Formula: CuCO3 · Cu(OH)2

DETAILS

Sigma Aldrich - 207896

Packaging
25, 500 g in poly bottle