copper(2+) ion disodium O-[(sulfonatoperoxy)sulfonyl]oxidanidolate sulfate

• ChemBase ID: 157044
• Molecular Formular: CuNa2O12S3
• Molecular Mass: 397.71334
• Monoisotopic Mass: 396.7643245
• SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+].[Cu+2]
• Canonical SMILES: [O-]S(=O)(=O)OOS(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Cu+2]
• InChI: InChI=1S/Cu.2Na.H2O8S2.H2O4S/c;;;1-9(2,3)7-8-10(4,5)6;1-5(2,3)4/h;;;(H,1,2,3)(H,4,5,6);(H2,1,2,3,4)/q+2;2*+1;;/p-4
• InChIKey: PIAKSAKPSSOOGC-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion disodium O-[(sulfonatoperoxy)sulfonyl]oxidanidolate sulfate
• IUPAC Traditional name: copper(2+) ion disodium peroxydisulfate sulfate
• Synonyms: Nitrogen determination (Wieninger); Selenium reaction mixture; Kjeldahl Catalyst according to Wieninger; Kjeldahl Catalyst; Nitrogen determination (Missouri); Kjeldahl Catalyst according to Missouri; 氮测定 (Wieninger); 硒反应混合物; 按照 Wieninger 方法的凯氏定氮催化剂; 凯氏定氮催化剂; 氮测定 (Missouri); 按照 Missouri 方法的凯氏定氮催化剂

Database IDs

• MDL Number: MFCD00144529
• PubChem SID: 162251181
• PubChem CID: 71312395

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

• Apperance: tablets; tablets (2.5 g)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1479; 3077
• German water hazard class: 2; 3
• Hazard Class: 5.1; 9
• Packing Group: 3
• Risk Statements: 22-33-50/53; 51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H410; H411
• GHS Precautionary statements: P273; P273-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves
• RID/ADR: UN 1479 5.1/PG 3; UN 3077 9/PG 3

Product Information

• Suitability: complies for function test; in accordance for function test

DETAILS

Sigma Aldrich - 31831

Packaging
250 tablets 2.5 g each

Sigma Aldrich - 31835

Packaging
package of 250 pieces

Sigma Aldrich - 31108

Packaging
250 tablets 2.5 g each