ammonium trioxovanadiumuide

• ChemBase ID: 125831
• Molecular Formular: H4NO3V
• Molecular Mass: 116.97816
• Monoisotopic Mass: 116.96307749
• SMILES: [NH4+].O=[V-](=O)=O
• Canonical SMILES: O=[V-](=O)=O.[NH4+]
• InChI: InChI=1S/H3N.3O.V/h1H3;;;;/q;;;;-1/p+1
• InChIKey: UXJVWJGDHIZPLD-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium trioxovanadiumuide
• IUPAC Traditional name: ammonium trioxovanadiumuide
• Synonyms: Ammonium vanadate; Ammonium metavanadate

Database IDs

• CAS Number: 7803-55-6
• Chemspider ID: 19968892
• Unique Ingredient Identifier: FL85PX638G
• Wikipedia Title: Ammonium_metavanadate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0542018
• LogD (pH = 7.4): -1.0542
• Log P: -1.0542
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 5.1711035 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.48 g/100 ml (20°C); 0.84 g/100ml (30°C); 1.32 g/100ml (40°C); 2.42 g/100ml (60°C) ; 7.0 g/100 mL (100 °C) in water; insoluble in ether, NH₄Cl, alcohol ; soluble in diethanolamine
• Apperance: slightly yellow crystalline solid, hygroscopic
• Melting Point: 200 °C (473 K)
• Boiling Point: Decomposes
• Flash Point: Non-flammable
• Density: 2.326 g/cm^3

Safety Information

• RTECS: YWD875000
• EU Index: Not listed
• Main Hazard: possible mutagen, dangerous for the environment
• NFPA704:
  

  0

  4

  0
• LD50: 58.1 mg/kg, oral (rat)