diammonium sulfite

• ChemBase ID: 125840
• Molecular Formular: H8N2O3S
• Molecular Mass: 116.14012
• Monoisotopic Mass: 116.02556313
• SMILES: [NH4+].[NH4+].O=S([O-])[O-]
• Canonical SMILES: [O-]S(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
• InChIKey: PQUCIEFHOVEZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium sulfite
• IUPAC Traditional name: diammonium sulfite
• Synonyms: Ammonium sulfite monohydrate; Ammonium sulphite; Diammonium sulfite; Diammonium sulfonate; Sulfurous acie; Diammonium sale; ammonium salt(1:2); Ammonium sulfite; 一水合亚硫酸铵

Database IDs

• CAS Number: 17026-44-7; 7783-11-1
• EC Number: 233-484-9
• MDL Number: MFCD00066094
• Merck Index: 14557
• PubChem SID: 162220185
• PubChem CID: 25041
• Chemspider ID: 23404
• Wikipedia Title: Ammonium_sulfite

CALCULATED PROPERTIES

• Acid pKa: 1.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.4536884
• LogD (pH = 7.4): -3.810975
• Log P: -1.1546873
• Molar Refractivity: 10.0845 cm^3
• Polarizability: 5.3231616 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 35 g/100 mL32.4g/100mL at 0 degrees Celsius, 60.4g/100mL at 100 degrees Celsius in water; Insoluble in acetone and alcohol
• Apperance: colourless ; hygroscopicCrystals; Crystalline
• Melting Point: 60-70°C dec.; 65 °C, decomposes
• Flash Point: Not Flamable
• Density: 1.41
• Refractive Index: 1.5150

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 31-36/37/38
• Safety Statements: 26-37-60/39
• TSCA Listed: 是
• EU Index: Not Listed
• GHS Pictograms: GHS07
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 92% min