dipotassium sulfinatosulfonate

• ChemBase ID: 129071
• Molecular Formular: K2O5S2
• Molecular Mass: 222.3236
• Monoisotopic Mass: 221.84612846
• SMILES: [K+].[K+].[O-]S(=O)S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)S(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2
• InChIKey: RWPGFSMJFRPDDP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium sulfinatosulfonate
• IUPAC Traditional name: dipotassium metabisulfite
• Synonyms: Potassium pyrosulfite; Dipotassium disulfite; Potassium metabisulfite; Potassium metabisulfite; Potassium disulfite; Potassium disulfite; Potassium metabisulfite; 偏硫代硫酸钾; 偏重亚硫酸钾; 焦亚硫酸钾

Database IDs

• CAS Number: 16731-55-8
• EC Number: 240-795-3
• MDL Number: MFCD00167605
• Merck Index: 147645
• PubChem SID: 24858904; 162223371; 24898332; 24847706; 24881901
• PubChem CID: 28019
• Chemspider ID: 26061
• Unique Ingredient Identifier: 65OE787Q7W
• Wikipedia Title: Potassium_metabisulfite

CALCULATED PROPERTIES

• Acid pKa: -2.7217357
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -6.1587806
• LogD (pH = 7.4): -6.185216
• Log P: -1.5739199
• Molar Refractivity: 18.7261 cm^3
• Polarizability: 9.72111 Å^3
• Polar Surface Area: 97.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 450 g/l (20 °C) in water; H2O: soluble0.1 M at 20 °C, clear, colorless; insoluble in ethanol
• Apperance: powder; Powder; White crystalline powder
• Melting Point: 190 °C decomp.; 190°C dec.
• Density: 2.34 g/cm^3 (solid)
• Odor: pungent (sulfur dioxide)
• pH: 2.5-4.5 (25 °C, 0.1 M in H2O); 3.5-4.5 (20 °C, 5%)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: TT4920000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 31-36/37/38; R36 R37 R38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Main Hazard: Irritant, asthma risk
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.

Product Information

• Purity: ≥96% (iodometric); ≥96% (RT); ≥97.0% (RT); ≥98%; 95.0-101.0% (iodometric); 95+%
• Grade: puriss.; puriss. p.a.; purum p.a.
• Suitability: in accordance for appearance of solution
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.08% thiosulfate (S2O3); 51.8-57.6% sulfur dioxide; insoluble matter, passes filter test; organic volatile impurities, complies (GC); residual solvents, in accordance
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; As: ≤2 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤10 mg/kg; Cu: ≤20 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤1000 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Se: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤10 mg/kg; Zn: ≤20 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg
• Quality: meets analytical specification of Ph.Eur., BP, NF, FCC, E224
• Product Line: BioUltra
• abs.: absorption0.1M/308 nm, H2O cut-off
• Linear Formula: K2S2O5

DETAILS

Sigma Aldrich - P2522

Packaging
500 g in poly bottle