ammonium hydrogen sulfate

• ChemBase ID: 125814
• Molecular Formular: H5NO4S
• Molecular Mass: 115.109
• Monoisotopic Mass: 114.99392865
• SMILES: [O-]S(=O)(=O)O.[NH4+]
• Canonical SMILES: [O-]S(=O)(=O)O.[NH4+]
• InChI: InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)
• InChIKey: BIGPRXCJEDHCLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium hydrogen sulfate
• IUPAC Traditional name: ammonium hydrogensulfate
• Synonyms: Ammonium bisulfate; Ammonium bisulfate; Ammonium hydrogen sulfate; 硫酸氢铵

Database IDs

• CAS Number: 7803-63-6
• EC Number: 232-265-5
• MDL Number: MFCD00051073
• PubChem SID: 162220160
• PubChem CID: 24655; 16211166
• Chemspider ID: 23057
• Wikipedia Title: Ammonium_bisulfate

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 12.6491 cm^3
• Polarizability: 6.158906 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in methanol ; insoluble in acetone; Very soluble in water
• Apperance: Lump; White solid
• Melting Point: 146.9°C; 147°C
• Density: 1.78 g/cm^3

Safety Information

• Storage Warning: Hygroscopic
• RTECS: WS990000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2506
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS05
• NFPA704:
  

  0

  3

  0
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 99.9% (metals basis)