dipotassium (disulfonatoamino)oxidanyl

• ChemBase ID: 106723
• Molecular Formular: K2NO7S2
• Molecular Mass: 268.3291
• Monoisotopic Mass: 267.83903171
• SMILES: [K+].[K+].[O]N(S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: [O]N(S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/2K.H2NO7S2/c;;2-1(9(3,4)5)10(6,7)8/h;;(H,3,4,5)(H,6,7,8)/q2*+1;/p-2
• InChIKey: IHSLHAZEJBXKMN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (disulfonatoamino)oxidanyl
• IUPAC Traditional name: dipotassium ion (disulfonatoamino)oxidanyl; dipotassium (disulfonatoamino)oxidanyl
• Synonyms: FREMY'S SALT; Fremy’s salt; Potassium nitrosodisulfonate; 弗氏盐; 亚硝基二磺酸钾

Database IDs

• CAS Number: 14293-70-0
• EC Number: 238-219-0
• MDL Number: MFCD00010878
• PubChem SID: 162087700; 24853200
• PubChem CID: 3032624

CALCULATED PROPERTIES

• Acid pKa: -3.041737
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -6.484946
• LogD (pH = 7.4): -6.4849534
• Log P: -1.7321557
• Molar Refractivity: 24.1119 cm^3
• Polarizability: 11.997238 Å^3
• Polar Surface Area: 117.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: QZ1300000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2813
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 14/15-20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H260-H302-H312-H332
• GHS Precautionary statements: P223-P231 + P232-P280-P370 + P378-P422
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2813 4.3/PG 1
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: (KSO3)2NO

DETAILS

Sigma Aldrich - 220930

Application
Useful reagent for the oxidation of a variety of phenols and anilines to quinones.1,2
Packaging
1, 10, 50 g in poly bottle