zinc(2+) ion dihydrate sulfite

• ChemBase ID: 139158
• Molecular Formular: H4O5SZn
• Molecular Mass: 181.47376
• Monoisotopic Mass: 179.90708623
• SMILES: O.O.[O-]S(=O)[O-].[Zn+2]
• Canonical SMILES: [O-]S(=O)[O-].O.O.[Zn+2]
• InChI: InChI=1S/H2O3S.2H2O.Zn/c1-4(2)3;;;/h(H2,1,2,3);2*1H2;/q;;;+2/p-2
• InChIKey: QUPDPMXNPJYOTJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion dihydrate sulfite
• IUPAC Traditional name: zinc(2+) ion dihydrate sulfite
• Synonyms: Zinc sulfite dihydrate; 亚硫酸锌 二水合物; 二水亚硫酸锌

Database IDs

• CAS Number: 7488-52-0
• MDL Number: MFCD00171738
• PubChem SID: 24872917; 162233406
• PubChem CID: 16213628

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: ethanol: insoluble
• Apperance: powder
• Melting Point: 200 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 99.9% trace metals basis
• Linear Formula: ZnSO3·2H2O