2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Basic Information

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CAS Number

7499-96-9

Molecular Formula

C11H13NO3S

Molecular Weight

239.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

41-44 ºC

Density

1.305±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C11H13NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7H,2-3,8H2,1H3

InChIKey

OVHVVWXDKDMZQA-UHFFFAOYSA-N

LogP

1.6312

Topological Polar Surface Area

54.45 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

371

Synonyms & References

English

2-Butylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide
SCHEMBL7903703
CHEMBL79624
2-n-Butyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
2-Butyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
n-Butylsaccharin
7499-96-9
AKOS001569792
SR-01000104132
DTXSID90321953
BDBM50242148
NSC400074
EU-0078555
A901424
2-butyl-1,1-dioxo-1,2-benzothiazol-3-one
CBMicro_023647
NSC-400074
SR-01000104132-1
CCG-10757
Butylbenisothiazolene
BIM-0023395.P001
Oprea1_518612
2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide
1,2-benzisothiazol-3(2H)-one, 2-butyl-, 1,1-dioxide
2-butyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
AC1L7YU5
butyl saccharin
N-(n-butyl)saccharin
STL286883
SureCN7903703
N-Butylsaccharin

MDL Number

MFCD00807755

FAQ

What regulatory guidelines apply to 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9)?

2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9) must comply with various regulatory guidelines, including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical under the Globally Harmonized System (GHS), requiring proper labeling and handling procedures. REACH regulations in the EU mandate detailed safety data sheets and restrictions on its use. EPA guidelines in the U.S. focus on environmental protection measures and disposal methods to ensure the compound is handled safely.

Are there alternatives to 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide in synthesis?

For synthesis, 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9) may have alternatives such as other benzothiazole derivatives or analogs like 2-ethyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Common alternative reagents in synthesis include thiourea, thiophenol, and various amines. These alternatives can provide similar functionality but with potentially different reactivity and ease of synthesis.

What is the market or research trend for 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9)?

The market and research trends for 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9) are primarily driven by its use in pharmaceuticals, rubber, and other chemical applications. Research trends include its application in developing anti-inflammatory drugs and its use as a stabilizer in rubber compounds. Market trends show a stable demand with potential growth due to increasing demand in pharmaceuticals and industrial applications. Recent studies focus on optimizing synthesis methods and exploring its biological activity.

How should waste containing 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9) be handled?

Waste containing 2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 7499-96-9) should be handled according to regulatory guidelines. Collect waste in appropriate containers and ensure proper labeling. For disposal, incineration is a common method, but professional waste disposal services are recommended to ensure compliance with environmental protection measures. Treat waste to minimize environmental impact, and always follow local regulations. Proper waste management is crucial to prevent environmental contamination and ensure safe disposal.