Cas no 62176-33-4 (5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid)

5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid structure
62176-33-4 structure
Product Name:5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid
CAS No:62176-33-4
MF:C14H10BrClO3
MW:341.584402561188
MDL:MFCD09711195
CID:455442
PubChem ID:8707076
Update Time:2025-11-02

5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-bromo-2-[(2-chlorophenyl)methoxy]-
    • 5-bromo-2-[(2-chlorophenyl)methoxy]benzoic acid
    • 5-Bromo-2-((2-chlorobenzyl)oxy)benzoicacid
    • 62176-33-4
    • 5-bromo-2-[(2-chlorobenzyl)oxy]benzoic acid
    • PXGMUUNXLCEOBW-UHFFFAOYSA-N
    • SCHEMBL1647440
    • MFCD09711195
    • DTXSID00429217
    • AKOS005172007
    • VS-13811
    • 5-Bromo-2-((2-chlorobenzyl)oxy)benzoic acid
    • 5-Bromo-2-{[(2-chlorophenyl)methyl]oxy}benzoic acid
    • 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid
    • MDL: MFCD09711195
    • Inchi: 1S/C14H10BrClO3/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,17,18)
    • InChI Key: PXGMUUNXLCEOBW-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=O)O)C=1)OCC1C=CC=CC=1Cl

Computed Properties

  • Exact Mass: 339.9502
  • Monoisotopic Mass: 339.95018g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 313
  • 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: 4.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid Pricemore >>

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Additional information on 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid

Comprehensive Overview of 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid (CAS No. 62176-33-4)

5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid (CAS No. 62176-33-4) is a specialized organic compound widely utilized in pharmaceutical and chemical research. This compound, characterized by its unique bromine and chlorobenzyl functional groups, has garnered significant attention due to its potential applications in drug development and material science. Researchers are particularly interested in its role as an intermediate in synthesizing bioactive molecules, making it a focal point in modern medicinal chemistry.

The molecular structure of 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid features a benzoic acid backbone substituted with a bromo group at the fifth position and a 2-chlorobenzyl ether at the second position. This configuration imparts distinct electronic and steric properties, which are critical for its reactivity and interactions in biological systems. The compound’s CAS number 62176-33-4 serves as a unique identifier in chemical databases, ensuring precise tracking in regulatory and research contexts.

In recent years, the demand for high-purity intermediates like 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid has surged, driven by advancements in targeted drug delivery and small-molecule therapeutics. Its compatibility with cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, makes it invaluable for constructing complex pharmacophores. Additionally, its role in protease inhibitor synthesis has been explored, aligning with the growing interest in antiviral drug development.

From an industrial perspective, CAS 62176-33-4 is often synthesized via multi-step organic reactions, including etherification and carboxylation processes. Quality control measures, such as HPLC and NMR spectroscopy, are essential to ensure its purity and consistency. The compound’s stability under standard laboratory conditions further enhances its practicality for large-scale applications.

Environmental and safety considerations are paramount when handling 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid. While it is not classified as hazardous under current regulations, proper personal protective equipment (PPE) and ventilation systems are recommended during its use. Disposal should adhere to local guidelines to minimize ecological impact, reflecting the broader shift toward green chemistry practices.

The versatility of 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid extends to material science, where it serves as a building block for functional polymers and liquid crystals. Its incorporation into supramolecular architectures has opened new avenues for designing smart materials with tailored properties. This interdisciplinary relevance underscores its importance beyond traditional chemical synthesis.

In summary, 5-Bromo-2-(2-chlorobenzyl)oxybenzoic Acid (CAS No. 62176-33-4) represents a critical tool in contemporary research, bridging gaps between pharmaceutical innovation and advanced material design. Its multifaceted applications and robust synthetic accessibility position it as a compound of enduring significance in the scientific community.

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