cadmium(2+) ion bis(nitrooxidane)

• ChemBase ID: 107161
• Molecular Formular: CdN2O6
• Molecular Mass: 236.4208
• Monoisotopic Mass: 237.87899373
• SMILES: [Cd+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[Cd+2]
• InChI: InChI=1S/Cd.2NO3/c;2*2-1(3)4/q+2;2*-1
• InChIKey: XIEPJMXMMWZAAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion bis(nitrooxidane)
• IUPAC Traditional name: cadmium(2+) dinitronate; cadmium(2+) ion dinitronate
• Synonyms: CADMIUM NITRATE; Nitric acid; cadmium salt

Database IDs

• CAS Number: 10022-68-1; 10325-94-7
• EC Number: 231-152-8
• PubChem SID: 162093405
• PubChem CID: 25154
• Chemspider ID: 23498
• Wikipedia Title: Cadmium_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: 122 g/100 mL (0 °C) ; 136 g/100 mL (20 °C) in water; soluble in acids
• Apperance: white crystals
• Melting Point: 350°C; 59.5°C
• Density: 3.60 g/cm^3, solid

Safety Information

• RTECS: EV1850000
• European Hazard Symbols: Dangerous for the environment (N); Harmful (Xn); Oxidising (O); Harmful (Xn)
• Risk Statements: R:8-20/21/22-50/53; R20/21/22, R50/53
• Safety Statements: S:16-17-26-28-61; S2, S60, S61
• EU Index: 048-001-00-5
• NFPA704:
  

  0

  3

  1

  OX
• LD50: 300 mg/kg (oral, rat)

DETAILS

MP Biomedicals - 05202773

MP Biomedicals Rare Chemical collection