diammonium sulfate

• ChemBase ID: 295217
• Molecular Formular: H8N2O4S
• Molecular Mass: 132.13952
• Monoisotopic Mass: 132.02047775
• SMILES: [NH4+].[NH4+].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)
• InChIKey: BFNBIHQBYMNNAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium sulfate
• IUPAC Traditional name: diammonium sulfate
• Synonyms: Ammonium sulfate; Ammonium sulfate, Puratronic®; Sulfur, AAS standard solution, Specpure®, S 1000 g/ml; Ammonium, Ion chromatography standard solution, Specpure®, NH; Ammonium sulfate, ACS; 硫酸铵; 硫酸铵, Puratronic®; 硫原子吸收标准溶液, Specpure®, S 1000μ/ml; 1000 g/ml; 硫酸铵, ACS

Database IDs

• CAS Number: 7783-20-2
• EC Number: 231-984-1
• MDL Number: MFCD00003391; MFCD00143604; MFCD00085316
• Merck Index: 14555
• PubChem SID: 180680748
• PubChem CID: 6097028

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

• Solubility: Soluble in water. Insoluble in alcohol and acetone
• Apperance: Crystalline; Granular; Liquid
• Melting Point: ca 280°C dec.
• Density: 1.769

Safety Information

• RTECS: BS4500000
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312

Product Information

• Purity: 98+%; 99.0% min; 99.95% (metals basis); 99.999% (metals basis)