λ2-cobalt(2+) ion diacetate

• ChemBase ID: 126644
• Molecular Formular: C4H6CoO4
• Molecular Mass: 177.02124
• Monoisotopic Mass: 176.95980367
• SMILES: [Co+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Co+2]
• InChI: InChI=1S/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: QAHREYKOYSIQPH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion diacetate
• IUPAC Traditional name: λ^2-cobalt(2+) ion diacetate
• Synonyms: Cobalt(II) acetate; Cobalt(II) acetate tetrahydrate, ACS; Cobalt(II) acetate, anhydrous; 乙酸亚钴(II)四水合物, ACS; 醋酸钴(II),无水; 醋酸钴(II), 无水

Database IDs

• CAS Number: 6147-53-1; 71-48-7
• EC Number: 200-755-8
• MDL Number: MFCD00149569; MFCD00008689
• Beilstein Number: 3731397
• Merck Index: 142433
• PubChem SID: 162220974
• PubChem CID: 6277
• Chemspider ID: 6041
• Unique Ingredient Identifier: 3XC4P44U7E
• Wikipedia Title: Cobalt(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: soluble in alcohol, dilute acids, pentyl acetate (tetrahydrate); Soluble in water
• Apperance: Crystalline; Pink crystals (anhydrous) ; intense red crystals (tetrahydrate); Powder
• Melting Point: 140 °C (tetrahydrate); 298°C; 298°C dec.; ca 140°C -4H{2}O
• Density: 1.705 g/cm^3 (tetrahydrate); 1.71
• Refractive Index: 1.542; 1.542 (tetrahydrate)
• Odor: vinegar (tetrahydrate)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: AG3325000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-60-42/43-50/53; 49-60-42/43-50/53-68
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• NFPA704:
  

  0

  1

  0
• LD50: 503 mg/kg (oral, rat)
• GHS Hazard statements: H334-H350-H360-H317-H341-H400-H410; H334-H350-H360-H317-H341-H400-H410-H302
• GHS Precautionary statements: P273-P201-P308+P313-P501A; P285-P261-P302+P352-P321-P405-P501A

Product Information

• Purity: 98.0-102.0%; 98+%; Co 32% min.