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

Basic Information

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CAS Number

15448-99-4

Molecular Formula

C8H7NO3S

Molecular Weight

197.21 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

Basic Physical Properties

Melting Point

130.0 to 134.0 deg-C

Boiling Point

366.3°C at 760 mmHg

SMILES

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CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3

InChIKey

DDIIAJRLFATEEE-UHFFFAOYSA-N

LogP

0.4609000000000001

Topological Polar Surface Area

54.45 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

330

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NS00025020
SCHEMBL107126
2-methyl-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
DTXSID10165639
triflusulfuron-methyl TP1
2-Methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
EINECS 239-466-7
15448-99-4
UNII-T63VBY3AYH
A20846
NSC 39120
methyl saccharine
NSC39120
FT-0650583
1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide
T63VBY3AYH
2-methyl-1,1-dioxo-benzo[d]isothiazol-3-one
2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
D78426
CHEMBL131790
2-Methylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide
N-Methylsaccharin
MFCD00059263
2-Methyl-1,1-dioxide
M0427
2-Methyl-1,2-benzisothiazole-3(2H)-one-1,1-dioxide
AI3-23674
1, 2-methyl-, 1,1-dioxide
Methylsaccharin
NSC-39120
SY053783

MDL Number

MFCD00059263

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 15448-99-4)?

2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide is a crystalline solid with a molecular weight of approximately 236.24 g/mol. It has a high solubility in organic solvents such as methanol and ethanol, but is only slightly soluble in water. Chemically, it is relatively stable under normal conditions but can react with strong acids to form thioethers. It is also known for its reactivity towards nucleophiles, making it useful in various synthetic transformations.

How is 2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 15448-99-4) typically synthesized?

2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide is usually synthesized via the condensation of 2-methylbenzothiazole and nitrous acid in the presence of a suitable catalyst. The reaction is typically performed under mild conditions, and the product can be isolated by recrystallization. The yield of the product is generally high, and the process is known for its good selectivity.

What industries use 2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 15448-99-4)?

2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the production of polymers and sensors. It is also utilized in the semiconductor industry for its electronic properties.

What precautions should be taken when handling 2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS: 15448-99-4)?

When handling 2-Methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and eye protection. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information.