[({[(sodiooxy)sulfonyl]peroxy}sulfonyl)oxy]sodium

• ChemBase ID: 105977
• Molecular Formular: Na2O8S2
• Molecular Mass: 238.10474
• Monoisotopic Mass: 237.88299752
• SMILES: [Na]OS(=O)(=O)OOS(=O)(=O)O[Na]
• Canonical SMILES: [Na]OS(=O)(=O)OOS(=O)(=O)O[Na]
• InChI: InChI=1S/2Na.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
• InChIKey: CHQMHPLRPQMAMX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [({[(sodiooxy)sulfonyl]peroxy}sulfonyl)oxy]sodium
• IUPAC Traditional name: {[(sodiooxysulfonyl)peroxysulfonyl]oxy}sodium
• Synonyms: Sodium Peroxydisulfate; Peroxydisulfuric acid disodium salt; SODIUM PERSULFATE

Database IDs

• CAS Number: 7775-27-1
• EC Number: 231-892-1
• PubChem SID: 162087268
• PubChem CID: 44134945

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8226
• LogD (pH = 7.4): 0.8226
• Log P: 0.8226
• Molar Refractivity: 22.684 cm^3
• Polarizability: 16.013317 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: > 180 °C with decomposition
• Density: 1250 - 1300 kg/m3 (bulk density)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SE0525000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1505
• Hazard Class: 5.1
• Packing Group: III
• Australian Hazchem: 2W
• Risk Statements: R:8-36/37/38
• Safety Statements: S:17-20-25-26-37/39
• EU Classification: O2
• EU Hazard Identification Number: 5.1B
• Emergency Response Guidebook(ERG) Number: 140