ammonium difluorohydrogenuide

• ChemBase ID: 125813
• Molecular Formular: F2N+
• Molecular Mass: 52.0035064
• Monoisotopic Mass: 51.99988045
• SMILES: [NH4+].F.F
• Canonical SMILES: [NH4+].F.F
• InChI: InChI=1S/2FH.H3N/h2*1H;1H3/p+1
• InChIKey: KVBCYCWRDBDGBG-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium difluorohydrogenuide
• IUPAC Traditional name: ammonium difluorohydrogenuide
• Synonyms: Ammonium acid fluoride; Ammonium hydrofluoride; Ammonium difluoride; Ammonium hydrogendifluoride; Ammonium hydrogen difluoride; Ammonium bifluoride

Database IDs

• CAS Number: 1341-49-7
• Chemspider ID: 21241205
• Wikipedia Title: Ammonium_bifluoride

CALCULATED PROPERTIES

• Acid pKa: 2.86897
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.685
• LogD (pH = 7.4): 0.685
• Log P: 0.685
• Molar Refractivity: 3.8026 cm^3
• Polarizability: 1.2098736 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 63g/100ml 20°C in water; slightly soluble in alcohol
• Apperance: White crystals
• Melting Point: 126°C (decomposes)
• Boiling Point: 240°C
• Density: 1.50 g cm^-3
• Refractive Index: 1.390

Safety Information

• Safety Statements: R
• GHS Pictograms: GHS05; GHS06
• NFPA704:
  

  3
• GHS Hazard statements: 301, 314
• GHS Precautionary statements: 280, 301+310, 305+351+338, 310