Cas no 19075-64-0 (3-Bromo-4-methyl-benzenethiol)

3-Bromo-4-methyl-benzenethiol structure
3-Bromo-4-methyl-benzenethiol structure
Product Name:3-Bromo-4-methyl-benzenethiol
CAS No:19075-64-0
MF:C7H7BrS
MW:203.099479913712
MDL:MFCD22481211
CID:4709580
PubChem ID:12722087
Update Time:2025-04-23

3-Bromo-4-methyl-benzenethiol Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-4-methyl-benzenethiol
    • 3-bromo-4-methylbenzenethiol
    • Benzenethiol, 3-bromo-4-methyl-
    • RGGIMPYCVUNPGX-UHFFFAOYSA-N
    • 3-Bromo-4-methyl-benzenethiol
    • MDL: MFCD22481211
    • Inchi: 1S/C7H7BrS/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
    • InChI Key: RGGIMPYCVUNPGX-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=CC=1C)S

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.9
  • Topological Polar Surface Area: 1

3-Bromo-4-methyl-benzenethiol Pricemore >>

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Additional information on 3-Bromo-4-methyl-benzenethiol

3-Bromo-4-methyl-benzenethiol (CAS No. 19075-64-0): Properties, Applications, and Industry Insights

3-Bromo-4-methyl-benzenethiol (CAS 19075-64-0) is a specialized organosulfur compound with significant relevance in modern chemical research and industrial applications. This brominated thiol derivative features a unique molecular structure combining a methyl group and bromine atom on a benzene ring, making it valuable for various synthetic pathways. The compound's molecular formula C7H7BrS and molecular weight 203.10 g/mol position it as an important building block in pharmaceutical intermediates and material science.

The growing interest in 3-Bromo-4-methyl-benzenethiol applications stems from its versatility in organic synthesis. Researchers particularly value its role in creating sulfur-containing heterocycles, which are crucial frameworks in drug development. Recent studies highlight its potential in catalysis and polymer modification, aligning with current trends toward sustainable chemistry solutions. The compound's thiol functional group offers excellent reactivity for conjugation reactions, making it valuable for bioconjugation techniques in biochemical research.

From a physicochemical perspective, 3-Bromo-4-methyl-benzenethiol typically appears as a light yellow to colorless liquid with a characteristic aromatic thiol odor. Its boiling point ranges between 230-235°C at atmospheric pressure, while the melting point falls near 15-18°C. The compound demonstrates moderate solubility in common organic solvents like ethanol, ether, and dichloromethane, but limited water solubility. These properties make it particularly useful for solution-phase synthesis applications where controlled reactivity is required.

In the pharmaceutical industry, 3-Bromo-4-methyl-benzenethiol CAS 19075-64-0 serves as a key intermediate for synthesizing various bioactive molecules. Its structural features enable the construction of thioether linkages in drug candidates, especially those targeting central nervous system disorders and anti-inflammatory applications. The compound's electron-withdrawing bromine substituent enhances its utility in nucleophilic aromatic substitution reactions, a frequently searched topic among synthetic chemists.

The material science sector has discovered innovative uses for 3-Bromo-4-methyl-benzenethiol in developing functionalized surfaces and nanomaterials. Its ability to form self-assembled monolayers (SAMs) on metal surfaces makes it valuable for creating corrosion-resistant coatings and sensor platforms. Recent patent literature reveals growing applications in organic electronics, where the compound assists in modifying charge transport properties of conductive polymers.

Market analysis indicates steady growth in demand for 3-Bromo-4-methyl-benzenethiol suppliers, particularly from research institutions and specialty chemical manufacturers. The compound's global market shows particular strength in North America and Asia-Pacific regions, driven by expanding pharmaceutical R&D activities. Quality specifications typically require ≥97% purity for most applications, with HPLC analysis being the preferred quality control method. Storage recommendations emphasize inert atmosphere protection and cool, dark conditions to maintain stability.

Environmental and handling considerations for 3-Bromo-4-methyl-benzenethiol follow standard laboratory safety protocols. While not classified as extremely hazardous, proper ventilation and personal protective equipment are recommended during handling. The compound's biodegradability profile and ecotoxicological data remain active research areas, reflecting the chemical industry's focus on green chemistry principles.

Emerging research directions explore 3-Bromo-4-methyl-benzenethiol derivatives for advanced material applications. Scientists are investigating its potential in creating metal-organic frameworks (MOFs) and catalytic systems for renewable energy technologies. These developments align with current scientific interest in sustainable chemical processes and energy storage solutions, topics frequently searched in academic databases.

Synthetic methodologies for 3-Bromo-4-methyl-benzenethiol preparation typically involve bromination reactions of corresponding methylbenzenethiol precursors or thiolation of appropriate bromotoluene derivatives. Recent literature highlights improved protocols using mild reaction conditions and greener solvents, addressing the chemical industry's push toward environmentally benign synthesis. These advancements have significantly improved the compound's accessibility for research purposes.

Analytical characterization of 3-Bromo-4-methyl-benzenethiol commonly employs spectroscopic techniques including 1H NMR, 13C NMR, and FT-IR spectroscopy. The compound's mass spectrometric profile shows characteristic fragmentation patterns that aid in identification. These analytical aspects represent frequently searched technical questions among researchers working with this compound.

The future outlook for 3-Bromo-4-methyl-benzenethiol (CAS 19075-64-0) appears promising, with potential expansions into agrochemical applications and specialty polymer additives. As synthetic chemistry continues evolving toward atom-efficient methodologies, this compound's unique structural features position it as valuable for developing next-generation functional materials. Ongoing research into its biological activity profiles may unlock additional pharmaceutical applications in coming years.

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