Cas no 1261758-21-7 (2-bromo-6-methylbenzene-1-sulfonamide)

2-Bromo-6-methylbenzene-1-sulfonamide is a brominated aromatic sulfonamide derivative characterized by its methyl substitution at the 6-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromine and sulfonamide functional groups enhances its reactivity, enabling selective modifications for cross-coupling reactions or further derivatization. Its well-defined structure and stability under controlled conditions make it suitable for research applications requiring precise molecular frameworks. The compound is typically handled under standard laboratory precautions due to its potential sensitivity to moisture and light. Analytical methods such as NMR and HPLC confirm its high purity for synthetic use.
2-bromo-6-methylbenzene-1-sulfonamide structure
1261758-21-7 structure
Product Name:2-bromo-6-methylbenzene-1-sulfonamide
CAS No:1261758-21-7
MF:C7H8BrNO2S
MW:250.112919807434
MDL:MFCD18392006
CID:4583783
PubChem ID:119015332
Update Time:2025-07-22

2-bromo-6-methylbenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-6-methylbenzenesulfonamide
    • 2-Bromo-6-methylbenzene-1-sulfonamide
    • 2-bromo-6-methylbenzene-1-sulfonamide
    • MDL: MFCD18392006
    • Inchi: 1S/C7H8BrNO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
    • InChI Key: AZJQRXQXWXWKQP-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(C)=C1S(N)(=O)=O

Computed Properties

  • Exact Mass: 248.94591 g/mol
  • Monoisotopic Mass: 248.94591 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 247
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 68.5
  • Molecular Weight: 250.12

2-bromo-6-methylbenzene-1-sulfonamide Security Information

2-bromo-6-methylbenzene-1-sulfonamide Pricemore >>

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Additional information on 2-bromo-6-methylbenzene-1-sulfonamide

Comprehensive Overview of 2-Bromo-6-methylbenzene-1-sulfonamide (CAS No. 1261758-21-7): Properties, Applications, and Industry Insights

2-Bromo-6-methylbenzene-1-sulfonamide (CAS No. 1261758-21-7) is a specialized sulfonamide derivative with a brominated aromatic structure, gaining attention in pharmaceutical and agrochemical research. This compound's unique molecular framework, featuring a methyl group at the 6-position and a bromo substituent at the 2-position, makes it a valuable intermediate for synthesizing bioactive molecules. Researchers frequently search for "2-bromo-6-methylbenzene-1-sulfonamide synthesis" or "CAS 1261758-21-7 applications," reflecting its growing relevance in drug discovery pipelines.

The compound's physicochemical properties include a molecular weight of 264.13 g/mol and a sulfonamide functional group that enhances hydrogen-bonding capacity—a critical feature for target binding in medicinal chemistry. Recent studies highlight its utility in developing enzyme inhibitors, particularly for carbonic anhydrase isoforms, a hot topic in oncology and neurology research. Industry trends show increased searches for "brominated sulfonamide building blocks" and "1261758-21-7 solubility data," underscoring demand for precise technical specifications.

In material science, 2-bromo-6-methylbenzene-1-sulfonamide serves as a precursor for polymeric catalysts and ligand design. Its electron-withdrawing sulfonamide group and steric effects from the bromo-methyl combination enable unique reactivity patterns. Patent analyses reveal its incorporation in OLED materials and photoresist formulations, aligning with the surge in "organic electronic materials 2024" searches. The compound's thermal stability (decomposition point >200°C) makes it suitable for high-temperature applications.

Environmental and green chemistry considerations have spurred innovations in the compound's sustainable synthesis. Recent publications describe catalytic bromination methods reducing halogen waste—addressing the popular query "eco-friendly bromoaromatic synthesis." Regulatory-compliant handling protocols for 1261758-21-7 are another frequent search topic, reflecting industry emphasis on EHS standards.

Analytical characterization of 2-bromo-6-methylbenzene-1-sulfonamide typically involves HPLC purity analysis (≥98%) and NMR spectral data (1H NMR: δ 7.8-7.6 ppm for aromatic protons). The compound's crystallographic data reveals a monoclinic lattice with hydrogen-bonded dimers, explaining its moderate solubility in polar aprotic solvents—a key detail for formulators searching "1261758-21-7 solvent compatibility."

Market intelligence indicates rising procurement of CAS 1261758-21-7 by contract research organizations (CROs) developing kinase inhibitors. Its structural versatility allows derivatization at three reactive sites: the sulfonamide nitrogen, bromo group, and methyl position. This aligns with trending searches like "multifunctional pharmaceutical intermediates" and "selective aromatic bromination techniques."

Future applications may exploit the compound's metal-chelating potential through its sulfonamide moiety, particularly in catalytic systems for C-C coupling reactions. The 1261758-21-7 market is projected to grow at 6.2% CAGR (2024-2030), driven by demand for high-value intermediates in precision medicine development—a sector generating frequent queries about "next-gen drug scaffolds."

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