5-Bromo-1,3-benzothiazol-2(3H)-one

Basic Information

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CAS Number

199475-45-1

Molecular Formula

C7H4BrNOS

Molecular Weight

230.09 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

242-243 ºC (ethanol )

SMILES

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BrC1=CC2=C(SC(=O)N2)C=C1

InChI

InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

InChIKey

BNWQDLHPYANRAV-UHFFFAOYSA-N

LogP

2.3521

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

5-Bromobenzo[d]thiazol-2(3H)-one
5-BROMO-2(3H)-BENZOTHIAZOLONE
5-bromo-3H-1,3-benzothiazol-2-one
5-bromo-1,3-benzothiazol-2(3H)-one
5-bromobenzothiazol-2-ol
5-Bromobenzo[d]thiazol-2(3H)

MDL Number

MFCD01312116

Customs Code

2934200090

FAQ

What regulatory guidelines apply to 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1)?

5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and the Occupational Safety and Health Administration (OSHA) under the United States. Specific handling and storage guidelines, including personal protective equipment (PPE) and emergency procedures, are outlined in these regulatory frameworks.

Are there alternatives to 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1) in synthesis?

Yes, there are alternatives to 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1) in synthesis, such as 5-Chloro-1,3-benzothiazol-2(3H)-one and 5-Iodo-1,3-benzothiazol-2(3H)-one. These bromo analogs can be substituted based on the desired reactivity and functional group requirements of the reaction.

What is the market or research trend for 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1)?

The market for 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1) is growing with increasing research interest in its use as a medicinal intermediate, particularly in the development of anti-inflammatory and antiviral drugs. Emerging research focuses on its application in drug discovery and synthesis optimization.

How should waste containing 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1) be handled?

Waste containing 5-Bromo-1,3-benzothiazol-2(3H)-one (CAS: 199475-45-1) should be collected in sealed containers and stored in a well-ventilated area. It should be disposed of through a licensed hazardous waste disposal service to ensure compliance with environmental regulations. Proper incineration or neutralization followed by safe disposal is recommended to minimize environmental impact.