1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate

Basic Information

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CAS Number

82385-42-0

Molecular Formula

C7H6NNaO4S

Molecular Weight

223.18 g/mol

Basic Physical Properties

Melting Point

>300°C

Boiling Point

438.9 °C at 760 mmHg

Density

1.0000

Water Solubility

Soluble in water.

Flash Point

219.3 °C

Solubility

H2O: 1 M at 20 °C, clear, colorless

SMILES

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C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.[Na+]

InChI

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

LogP

1.18550

Complexity

308

Safety Information

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Sensitiveness

对光敏感

Synonyms & References

English

171734-71-7
sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide hydrate
FT-0645156
82385-42-0
856107-05-6
Saccharin sodium salt hydrate
Saccharin, sodium salt hydrate
Q27273809
Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide xhydrate
DTXCID401992
F0001-2111
sodium 3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide hydrate
CHEMBL3182631
CAS-82385-42-0
Sodium saccharinate monohydrate
AKOS026677440
sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;hydrate
A9CO00M9HV
Sodium3-oxo-3H-benzo[d]isothiazol-2-ide1,1-dioxidehydrate
Saccharin sodium monohydrate
sodium;1,1-dioxo-1,2-benzothiazol-3-olate;hydrate
Tox21_300604
82385-42-0 (sodium salt hydrate)
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, monohydrate
SCHEMBL1138065
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
UNII-A9CO00M9HV
Sodium3-oxo-3H-benzo[d]isothiazol-2-ide1,1-dioxidexhydrate
AS-83608
NCGC00248374-01
DTXSID7021992

MDL Number

MFCD00149605

FAQ

What regulatory guidelines apply to 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0)?

The compound 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0) falls under the European Union's REACH regulations for chemicals above 1 ton per year. It also requires classification and labeling under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), with potential classifications for skin corrosion/irritation, serious eye damage/eye irritation, and respiratory or skin sensitization. FDA and EPA regulations may also apply for specific uses in the U.S., such as in cosmetics or water treatment.

Are there alternatives to 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0) in synthesis?

Alternatives to 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0) include other biocides such as triclosan, chloroxylenol, and benzalkonium chloride, which can be used in similar applications like mold and mildew control in water treatment and cosmetics. However, each alternative has its own set of regulatory requirements and potential health and environmental impacts.

What is the market or research trend for 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0)?

The market for 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0) is driven by its use as a biocide in water treatment and cosmetic formulations. Research trends include developing more sustainable and biodegradable alternatives, as well as exploring its use in new applications such as antimicrobial coatings. Price trends show a steady demand with minor fluctuations based on supply chain disruptions.

How should waste containing 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0) be handled?

Waste containing 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS: 82385-42-0) should be collected in properly labeled, sealed containers to prevent spillage and contamination. For disposal, professional waste management services should be contacted to ensure compliance with local, national, and international regulations. Environmental protection measures include neutralizing any residual biocide and ensuring that waste does not enter the water supply or soil.