diammonium O-[(sulfonatoperoxy)sulfonyl]oxidanidolate

• ChemBase ID: 105513
• Molecular Formular: H8N2O8S2
• Molecular Mass: 228.20212
• Monoisotopic Mass: 227.97220723
• SMILES: [NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)OOS(=O)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)
• InChIKey: ROOXNKNUYICQNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium O-[(sulfonatoperoxy)sulfonyl]oxidanidolate
• IUPAC Traditional name: diammonium peroxydisulfate
• Synonyms: Ammonium peroxydisulfate, ACS; Ammonium persulfate; Ammonium peroxydisulfate; Ammonium peroxydisulfate; AMMONIUM PERSULFATE; AMMONIUM PERSULFATE ACS REAGENT GRADE; 过氧二硫酸铵, ACS; 过氧二硫酸铵

Database IDs

• CAS Number: 7727-54-0
• EC Number: 231-786-5
• MDL Number: MFCD00003390
• Merck Index: 14541
• PubChem SID: 162092359
• PubChem CID: 62648
• Chemspider ID: 56400
• Unique Ingredient Identifier: 22QF6L357F
• Wikipedia Title: Ammonium_persulfate

CALCULATED PROPERTIES

• Acid pKa: -3.4752414
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -5.686493
• LogD (pH = 7.4): -5.6864934
• Log P: -0.9336958
• Molar Refractivity: 22.8694 cm^3
• Polarizability: 12.07569 Å^3
• Polar Surface Area: 132.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 80 g/100 ml (25 °C) in water; Freely soluble in water
• Apperance: Lump; white to yellowish crystals
• Melting Point: 120 °C with decomposition; 120 °C (393 K) decomp.; 120°C dec.
• Flash Point: None
• Density: 1.98 g/cm^3; 1.982; 950 - 1050 kg/m3 (bulk density)
• Refractive Index: 1.50

Safety Information

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• Storage Warning: Moisture Sensitive
• RTECS: SE0350000
• European Hazard Symbols: Oxidising (O); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1444; UN1444
• Hazard Class: 5.1
• Packing Group: III
• Australian Hazchem: 2W
• Risk Statements: 8-22-36/37/38-42/43; R:8-22-36/37/38-42/43; R8, R22, R36/37/38, R42/43
• Safety Statements: 22-24-26-37; S:22-24-26-37; S2, S22, S24, S26, S37
• EU Classification: O2
• EU Hazard Identification Number: 5.1B
• Emergency Response Guidebook(ERG) Number: 140
• TSCA Listed: 是
• EU Index: 016-060-00-6
• GHS Pictograms: GHS03; GHS07; GHS08
• NFPA704:
  

  0

  2

  2

  OX
• LD50: 689 mg/kg, oral (rat)
• GHS Hazard statements: H272-H334-H315-H319-H317-H302-H335; H334-H315-H319-H317-H272-H302-H335
• GHS Precautionary statements: P221-P210-P285-P305+P351+P338-P405-P501A

Product Information

• Purity: ≥98%; >98%; >99%; 98%; 98.0% min
• Grade: ACS; ELECTROPHORESIS; REAGENT

DETAILS

MP Biomedicals - 02190556

Polymerization catalyst for polyacrylamide gel in electrophoresis

MP Biomedicals - 04802829

Electrophoresis Grade Purity: >99% Polymerization catalyst used with TEMED for polyacrylamide gel formation.

MP Biomedicals - 02193858

ACS Reagent Grade
Purity: >98%

MP Biomedicals - 04802811

Electrophoresis Grade Purity: >99% Polymerization catalyst used with TEMED for polyacrylamide gel formation.

MP Biomedicals - 02193988

Molecular Biology Reagent
Purity: >98%
Polymerization catalyst used with TEMED for polyacrylamide gel formation.

REFERENCES

• In combination with AgNO₃ and Cu(OAc)₂, promotes a carbamoyl radical process for the conversion of oxalic acid monoamides to isocyanates: J. Org. Chem., 60, 5430 (1995).