λ2-cobalt(2+) ion bis(nitrooxidane)

• ChemBase ID: 126651
• Molecular Formular: CoN2O6
• Molecular Mass: 182.943
• Monoisotopic Mass: 182.90883073
• SMILES: [Co+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[Co+2]
• InChI: InChI=1S/Co.2NO3/c;2*2-1(3)4/q+2;2*-1
• InChIKey: UFMZWBIQTDUYBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis(nitrooxidane)
• IUPAC Traditional name: λ^2-cobalt(2+) ion dinitronate
• Synonyms: Cobaltous nitrate; Nitric acid, cobalt(2+) salt; Cobalt(II) nitrate

Database IDs

• CAS Number: 10141-05-6
• EC Number: 233-402-1
• PubChem SID: 162220981
• PubChem CID: 25000
• Chemspider ID: 23369
• Unique Ingredient Identifier: 65W79BFD5V
• Wikipedia Title: Cobalt(II)_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: hexahydrate: 134 g/100 mL (0 °C) ; 103.8 g/100 mL (25 °C)

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  soluble (anhydrous) in water; soluble in alcohol, acetone, ethanol, ammonia (hexahydrate)
• Apperance: pale red powder (anhydrous) ; red crystalline (hexahydrate)
• Melting Point: 100 °C, decomp (anhydrous) ; 55 °C (hexahydrate)
• Boiling Point: 100–105 °C, decomp (hexahydrate) ; 74 °C, decomp (hexahydrate)
• Density: 2.49 g/cm^3 (anhydrous) ; 1.87 g/cm^3 (hexahydrate)
• Odor: odorless (hexahydrate)

Safety Information

• RTECS: GG1109000
• European Hazard Symbols: Carc. Cat. 2; Dangerous for the environment (N); Muta. Cat. 3; Repr. Cat. 2; Toxic (T)
• Risk Statements: R49, R60, R42/43, R68, R50/53
• Safety Statements: S53, S45, S60, S61
• EU Index: 027-009-00-2
• NFPA704:
  

  0

  2

  0

  OX
• LD50: 434 mg/kg; rat, oral (anhydrous) ; 691 mg/kg; rat, oral (hexahydrate)