1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
Basic information
- CAS
171734-71-7- Standard SMILES
O.O=C1[N-]S(=O)(=O)c2ccccc21.[Na+]- InChIKey
ILJOYZVVZZFIKA-UHFFFAOYSA-M- Molecular formula
- C7H6NNaO4S
- Average molar mass
- 223.18 g/mol
- Monoisotopic mass
- 222.99152313
Names & identifiers
- Preferred name
- 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
- IUPAC
- sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;hydrate
- English name
- SACCHARIN SODIUM SALT DIHYDRATE
- Molecular formula
- C7H8NNaO4S
- Molecular weight
- 225.19
Names & synonyms
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrateRefChem:411274617-325-4Sodium saccharin hydrate82385-42-0Saccharin sodium salt hydrateSaccharin, sodium salt hydrateSaccharin sodium monohydratesodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrateSodium saccharinate monohydrate171734-71-7A9CO00M9HV
Show more names
SODIUM SACCHARINO-BENZOIC SULFIMIDE SODIUM SALT2-SULFOBENZOIC AND IMIDE SODIUM SALT DIHYDRATESOLUBLE SACCHARINSodium Saccharin BPSACCHARIN SODIUM HYDRATEO-SULFOBENZIMIDE SODIUM SALT DIHYDRATEO-BENZOIC SULFIMIDE SODIUM SALT DIHYDRATE1,1-DIOXIDE-1,2-BENZISOTHIAZOLE-3(2H)-ONE SODIUM SALT, DIHYDRATE
1,2-BenzisothDTXSID7021992856107-05-6Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide xhydrate82385-42-0 (sodium salt hydrate)1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, monohydrateo-Benzoic sulfimide sodium salt hydratesodium;1,1-dioxo-1,2-benzothiazol-3-olate;hydrate
Database identifiers
- CAS
171734-71-7、82385-42-0- PubChem CID
- 443755
- DTXSID
DTXSID7021992- ChEMBL
CHEMBL3182631- UNII
- A9CO00M9HV
- EC Number
- 617-325-4
Properties
Computed structural properties
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 300 °C · >300°C
- storage temp.
- room temp
- solubility
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- form
- Crystals or Crystalline Powder
- color
- Colorless to white
- Water Solubility
- Soluble in water.
- Merck
- 14 · 14,8312
- BRN
- 3599229 · 3599229
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- InChI
- 1S/C7H5NO3S.Na.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2/q;+1;/p-1
- InChIKey
- ILJOYZVVZZFIKA-UHFFFAOYSA-M
- SMILES
- [Na+].[H]O[H].[O-]C1=NS(=O)(=O)c2ccccc12
- CAS DataBase Reference
- 82385 · 82385-42-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 CO00M9HV · A9CO00M9HV
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- Yes
- rtecs
- DE4550000
- hs_code
- 29251100
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesSaccharin Sodium Salt Hydrate can be used for the purification of recombinant polypeptides, such as antibodies.
UsesSaccharin Sodium Salt Dihydrate is a non-nutritive sweetener; pharmaceutic aid (flavor). Saccharin was formerly listed as reasonably anticipated to be a human carcinogen; delisted because the cancer data are not sufficient to meet the current criteria for this listing.
General DescriptionSaccharin is an artificial sweetener, which is used in canned fruit juices, vegetables, cookies andjellies. It is associated with bladder cancer.
Upstream & downstream products
Upstream raw materials
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