disodium (sulfinatooxy)sulfinate

• ChemBase ID: 105588
• Molecular Formular: Na2O5S2
• Molecular Mass: 190.10654
• Monoisotopic Mass: 189.89825366
• SMILES: [Na+].[Na+].[O-]S(=O)OS(=O)[O-]
• Canonical SMILES: [O-]S(=O)OS(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/2Na.H2O5S2/c;;1-6(2)5-7(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2
• InChIKey: LDTLADDKFLAYJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (sulfinatooxy)sulfinate
• IUPAC Traditional name: disodium sulfinatooxysulfinate; dipotassium sulfinatooxysulfinate
• Synonyms: Sodium sulfite; Sodium metabisulfite; Disodium Pyrosulfite; Sodium Metabisulphite; Sodium Pyrosulfite; SODIUM METABISULFITE ACS REAGENT GRADE; 焦亚硫酸钠

Database IDs

• CAS Number: 7681-57-4
• EC Number: 231-673-0
• MDL Number: MFCD00167602
• Merck Index: 148638
• PubChem SID: 162092814
• PubChem CID: 24346

CALCULATED PROPERTIES

• Acid pKa: 1.69897
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.8930464
• LogD (pH = 7.4): -5.9459167
• Log P: -1.3349681
• Molar Refractivity: 18.6334 cm^3
• Polarizability: 9.830178 Å^3
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C; Decomposes prior to melting
• Density: 1.480; 1000 - 1200 kg/m3 (bulk density)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UX8225000
• European Hazard Symbols: X; Harmful (Xn)
• Risk Statements: 22-31-41; R:22
• Safety Statements: 26-39-46; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H302
• GHS Precautionary statements: P280-P264-P305+P351+P338-P310-P301+P312-P501A

Product Information

• Purity: ≥97.0%; 97%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02191438

ACS Reagent Grade
Purity: >97.0%
Insoluble Matter: =0.005%