4-Bromo-7-methyl-1H-indole-2,3-dione

Basic Information

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CAS Number

874375-17-4

Molecular Formula

C9H6BrNO2

Molecular Weight

240.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Density

1.714

Refractive Index

1.631

SMILES

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Cc1ccc(Br)c2C(=O)C(=O)Nc21

InChI

InChI=1S/C9H6BrNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)

InChIKey

VYPAAYCDBZXFOI-UHFFFAOYSA-N

LogP

1.89232

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

266

Synonyms & References

English

4-Bromo-7-methylIsatin
1H-Indole-2,3-dione,4-bromo-7-methyl-
4-bromo-7-methyl-1H-indole-2,3-dione
4-Bromo-7-methylindoline-2,3-dione
4-bromo-7-methylisatine
4-Bromo-7-methyl-1H-indole-2,3-dione (ACI)

MDL Number

MFCD06659469

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4)?

4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes hazard classification for health, physical, and environmental hazards. In the European Union, it also falls under the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations. FDA and EPA have specific requirements for the use and handling of this compound in the U.S., including label and documentation requirements.

Are there alternatives to 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4) in synthesis?

While 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4) is a specific compound, alternatives for similar functionalities can include 4-methyl-1H-indole-2,3-dione or 1H-indole-2,3-dione. These compounds can be used as substitutes in various synthetic routes, depending on the desired properties and reactivity.

What is the market or research trend for 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4)?

The research and development trends for 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4) are primarily focused on its application in medicinal chemistry and pharmaceuticals. Recent studies have explored its potential as a precursor for synthesizing bioactive compounds and as a scaffold for drug discovery. Market demand is growing as it continues to attract interest for its unique structural properties and biological activities.

How should waste containing 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4) be handled?

Waste containing 4-Bromo-7-methyl-1H-indole-2,3-dione (CAS: 874375-17-4) should be collected in appropriate containers and stored separately to prevent contamination. It should be disposed of through proper waste treatment facilities, such as incineration or chemical oxidation, under the supervision of qualified professionals. Ensuring safety and compliance with local environmental regulations is crucial to prevent environmental hazards and ensure worker safety.