Record Information
Version1.0
Creation Date2016-05-19 04:41:30 UTC
Update Date2016-11-09 01:15:08 UTC
Accession NumberCHEM015023
Identification
Common NameSodium persulfate
ClassSmall Molecule
DescriptionSodium persulfate is the inorganic compound with the formula Na2S2O8. It is the sodium salt of peroxydisulfuric acid, H2S2O8, an oxidizing agent. It is a white solid that dissolves in water. It is almost non-hygroscopic and has good shelf-life.
Contaminant Sources
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Sodium persulfuric acidGenerator
Sodium persulphateGenerator
Sodium persulphuric acidGenerator
Sodium peroxodisulfateMeSH
Sodium peroxydisulfateChEMBL
Sodium peroxy disulfateChEMBL
Sodium peroxydisulfuric acidGenerator
Sodium peroxydisulphateGenerator
Sodium peroxydisulphuric acidGenerator
Disodium;sulfonatooxy sulfuric acidGenerator
Disodium;sulphonatooxy sulphateGenerator
Disodium;sulphonatooxy sulphuric acidGenerator
Sodium peroxy disulfuric acidGenerator
Sodium peroxy disulphateGenerator
Sodium peroxy disulphuric acidGenerator
Sodium persulfateMeSH
Chemical FormulaNa2O8S2
Average Molecular Mass238.090 g/mol
Monoisotopic Mass237.883 g/mol
CAS Registry Number7775-27-1
IUPAC Namedisodium [(sulfonatoperoxy)sulfonyl]oxidanide
Traditional Namedisodium peroxydisulfate
SMILES[Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O
InChI IdentifierInChI=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
InChI KeyCHQMHPLRPQMAMX-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal peroxodisulfates. These are inorganic compounds in which the largest oxoanion is peroxodisulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal peroxodisulfates
Direct ParentAlkali metal peroxodisulfates
Alternative Parents
Substituents
  • Alkali metal peroxodisulfate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.93ChemAxon
pKa (Strongest Acidic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area132.86 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity22.87 m³·mol⁻¹ChemAxon
Polarizability11.74 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0090000000-6b39a61802987d58d87aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0390000000-0aa688fe3c54c047cc91Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udr-4950000000-3dbb3764149018d0b1c3Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium persulfate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID62655
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available