3-Oxo-1,2-benzisothiazol-2-ide 1,1-dioxide

Base Information

• Chemical Name: 3-Oxo-1,2-benzisothiazol-2-ide 1,1-dioxide
• CAS No.: 82385-42-0
• Deprecated CAS: 58238-90-7,934544-60-2,942603-27-2,942603-87-4
• Molecular Formula: C7H5NO3S.xH2O.Na
• Molecular Weight: 241.2
• Hs Code.: 29251100
• European Community (EC) Number: 617-325-4
• DSSTox Substance ID: DTXSID50872456
• Nikkaji Number: J2.250.315D
• Wikidata: Q81978293
• Mol file: 82385-42-0.mol

Synonyms:Sweeta;3-oxo-1,2-benzisothiazol-2-ide 1,1-dioxide;1,1-dioxo-1,2-benzothiazol-3-olate;16766-82-8;3-oxo-3H-1,2-benzothiazol-2-ide 1,1-dioxide;C7H5NO3S.xH2O.Na;Saccharin sodium salt hydrate;C7-H5-N-O3-S.x-H2-O.Na;856107-05-6;saccharinate;1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate;82385-42-0;DTXSID50872456;HMS1607A02;BBL011408;STL146512;AKOS005721201;NCGC00248669-01;LS-190361;EU-0033410;1,1,3-Trioxo-1-thia(VI)-2-azaindan-2-ide;AE-848/33605023

Chemical Property of 3-Oxo-1,2-benzisothiazol-2-ide 1,1-dioxide

Chemical Property:

• Appearance/Colour: colorless crystal or slightly white crystalline powder
• Vapor Pressure: 1.77E-08mmHg at 25°C
• Melting Point: >300°C
• Boiling Point: 438.9°C at 760 mmHg
• Flash Point: 219.3°C
• PSA: 78.05000
• LogP: 1.18550
• Storage Temp.: room temp
• Solubility.: H2O: 1 M at 20 °C, clear, colorless
• Water Solubility.: Soluble in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.99118916
• Heavy Atom Count: 12
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Saccharin sodium salt hydrate ≥98.0% (titration) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]
• Uses: Saccharin Sodium Salt Hydrate can be used for the purification of recombinant polypeptides, such as antibodies.