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16731-55-8 molecular structure
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dipotassium sulfinatosulfonate

ChemBase ID: 129071
Molecular Formular: K2O5S2
Molecular Mass: 222.3236
Monoisotopic Mass: 221.84612846
SMILES and InChIs

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

Cite this record

CBID:129071 http://www.chembase.cn/molecule-129071.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
Acid pKa -2.7217357  H Acceptors
H Donor LogD (pH = 5.5) -6.1587806 
LogD (pH = 7.4) -6.185216  Log P -1.5739199 
Molar Refractivity 18.7261 cm3 Polarizability 9.72111 Å3
Polar Surface Area 97.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
450 g/l (20 °C) in water expand Show data source
H2O: soluble0.1 M at 20 °C, clear, colorless expand Show data source
insoluble in ethanol expand Show data source
Apperance
powder expand Show data source
Powder expand Show data source
White crystalline powder expand Show data source
Melting Point
190 °C decomp. expand Show data source
190°C dec. expand Show data source
Density
2.34 g/cm3 (solid) expand Show data source
Odor
pungent (sulfur dioxide) expand Show data source
pH
2.5-4.5 (25 °C, 0.1 M in H2O) expand Show data source
3.5-4.5 (20 °C, 5%) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
TT4920000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
31-36/37/38 expand Show data source
R36 R37 R38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
EU Index
Not listed expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
Main Hazard
Irritant, asthma risk expand Show data source
NFPA704
NFPA 704 diagram
0
1
0
expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Supplemental Hazard Statements
Contact with acids liberates toxic gas. expand Show data source
Purity
≥96% (iodometric) expand Show data source
≥96% (RT) expand Show data source
≥97.0% (RT) expand Show data source
≥98% expand Show data source
95.0-101.0% (iodometric) expand Show data source
95+% expand Show data source
Grade
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
Suitability
in accordance for appearance of solution expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤0.08% thiosulfate (S2O3) expand Show data source
51.8-57.6% sulfur dioxide expand Show data source
insoluble matter, passes filter test expand Show data source
organic volatile impurities, complies (GC) expand Show data source
residual solvents, in accordance expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
As: ≤2 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤10 mg/kg expand Show data source
Cu: ≤20 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
Hg: ≤1 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤1000 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤2 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Se: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Zn: ≤20 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤100 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
Quality
meets analytical specification of Ph.Eur., BP, NF, FCC, E224 expand Show data source
Product Line
BioUltra expand Show data source
abs.
absorption0.1M/308 nm, H2O cut-off expand Show data source
Linear Formula
K2S2O5 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P2522 external link
Packaging
500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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