vanadium(3+) ion ammonium disulfate

• ChemBase ID: 134531
• Molecular Formular: H4NO8S2V
• Molecular Mass: 261.10516
• Monoisotopic Mass: 260.88179259
• SMILES: [NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[V+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[V+3]
• InChI: InChI=1S/H3N.2H2O4S.V/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3
• InChIKey: QOQPPDUZHAYTNT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: vanadium(3+) ion ammonium disulfate
• IUPAC Traditional name: vanadium(3+) ion ammonium disulfate
• Synonyms: Ammonium vanadium(III) sulfate; 硫酸铵钒(III)

Database IDs

• CAS Number: 22723-49-5
• MDL Number: MFCD04974078
• PubChem SID: 162228807; 24880689
• PubChem CID: 16217273

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: NH4V(SO4)2