Cas no 364623-84-7 (4-(4-bromophenoxy)methylbenzoic acid)

4-(4-Bromophenoxy)methylbenzoic acid is a brominated aromatic compound featuring a benzoic acid core substituted with a 4-bromophenoxymethyl group. This structure lends the molecule utility as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both a carboxylic acid and a bromophenoxy moiety allows for versatile functionalization, enabling further derivatization through cross-coupling reactions or esterification. Its well-defined reactivity and stability make it suitable for controlled modifications in complex molecular frameworks. The compound is typically characterized by high purity and consistent performance, ensuring reproducibility in research and industrial processes. Proper handling and storage are recommended to maintain its integrity.
4-(4-bromophenoxy)methylbenzoic acid structure
364623-84-7 structure
Product Name:4-(4-bromophenoxy)methylbenzoic acid
CAS No:364623-84-7
MF:C14H11BrO3
MW:307.139343500137
MDL:MFCD02090847
CID:1473819
PubChem ID:585035
Update Time:2025-06-11

4-(4-bromophenoxy)methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-[(4-bromophenoxy)methyl]benzoic Acid
    • 4-(4-bromophenoxymethyl)benzoic acid
    • AC1LBM09
    • STOCK3S-04934
    • CTK5I7637
    • MolPort-000-152-276
    • SBB019489
    • STK074950
    • 4-(4-bromo-phenoxymethyl)benzoic acid
    • AK-968
    • 4-(4-bromophenoxy)methylbenzoic acid
    • 4-((4-Bromophenoxy)methyl)benzoic acid
    • 4-((4-Bromophenoxy)methyl)benzoicacid
    • CS-0264178
    • BBL037828
    • BDBM50508806
    • SR-01000260011
    • 4-(4-Bromo-phenoxymethyl)-benzoic acid
    • E73978
    • BS-50345
    • 4-[(4-Bromophenoxy)methyl]benzoic acid #
    • AK-968/41172224
    • Benzoic acid, 4-(4-bromophenoxymethyl)-
    • AB00316343-03
    • DTXSID70342848
    • 364623-84-7
    • CHEMBL4554741
    • NCGC00321624-01
    • SBTXPVSBPVKUCV-UHFFFAOYSA-N
    • MFCD02090847
    • AKOS000103729
    • EN300-92242
    • SCHEMBL24488963
    • SR-01000260011-1
    • Z54580878
    • MDL: MFCD02090847
    • Inchi: 1S/C14H11BrO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
    • InChI Key: SBTXPVSBPVKUCV-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OCC1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 305.98900
  • Monoisotopic Mass: 305.98916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 266
  • 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: 3.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 3.72630

4-(4-bromophenoxy)methylbenzoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on 4-(4-bromophenoxy)methylbenzoic acid

Comprehensive Overview of 4-(4-Bromophenoxy)methylbenzoic Acid (CAS No. 364623-84-7): Properties, Applications, and Research Insights

4-(4-Bromophenoxy)methylbenzoic acid (CAS No. 364623-84-7) is a specialized organic compound gaining attention in pharmaceutical and material science research. This brominated aromatic derivative features a unique molecular structure combining a benzoic acid core with a 4-bromophenoxy substituent, making it valuable for drug intermediate synthesis and functional material development. Researchers increasingly explore its potential in targeted drug delivery systems and bioconjugation chemistry, aligning with current trends in precision medicine and green chemistry.

The compound's molecular weight (307.15 g/mol) and lipophilic properties make it particularly useful in designing prodrug formulations, a hot topic in pharmaceutical forums. Its bromine atom provides an excellent handle for cross-coupling reactions, answering frequent search queries about Palladium-catalyzed reactions and Suzuki-Miyaura coupling applications. Recent studies highlight its role in developing fluorescence probes, addressing growing interest in bioimaging techniques and diagnostic tools.

From a synthetic chemistry perspective, 364623-84-7 serves as a versatile building block for creating complex molecular architectures. Its carboxylic acid group enables easy derivatization, frequently discussed in peptide coupling and polymer modification research. The compound's crystalline nature and moderate solubility profile (soluble in DMSO, DMF) make it suitable for high-throughput screening applications, a trending topic in drug discovery communities.

Environmental scientists are investigating 4-(4-bromophenoxy)methylbenzoic acid as a potential biodegradation marker, responding to increased searches about eco-friendly chemical monitoring. Its UV absorption characteristics (λmax ~280 nm) facilitate analytical detection, making it relevant to discussions about HPLC method development and environmental analyte tracking. The compound's thermal stability (decomposition >200°C) also attracts attention in material durability studies.

In regulatory contexts, proper handling of CAS 364623-84-7 requires standard laboratory safety protocols, a frequently searched topic among chemistry professionals. While not classified as hazardous under major chemical inventories, its brominated structure warrants consideration in waste management procedures, aligning with global interest in sustainable chemical practices. The compound's patent landscape shows growing applications in electronic materials and specialty coatings, addressing industry demand for high-performance additives.

Analytical characterization of 4-(4-bromophenoxy)methylbenzoic acid typically involves NMR spectroscopy (1H, 13C), mass spectrometry, and elemental analysis – techniques commonly searched by quality control specialists. Recent publications highlight its potential in metal-organic frameworks (MOFs) construction, tapping into the booming interest in porous materials for gas storage and catalysis. The compound's structure-activity relationships continue to inspire research in medicinal chemistry optimization strategies.

Supply chain data indicates growing availability of 364623-84-7 from specialty chemical suppliers, reflecting increased industrial adoption. Its cost-performance ratio makes it attractive for academic research and small-scale production, addressing common queries about budget-friendly research chemicals. The compound's synthetic versatility positions it as a valuable tool for developing new synthetic methodologies, a perennial focus area in organic chemistry.

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