Cas no 6836-99-3 (4-BROMO-2-PHENYL-BUTYRIC ACID)

4-Bromo-2-phenyl-butyric acid is a brominated aromatic carboxylic acid with applications in organic synthesis and pharmaceutical intermediates. Its structure, featuring a phenyl group and a bromine substituent on a butyric acid backbone, makes it a versatile building block for constructing more complex molecules. The bromine atom provides a reactive site for further functionalization via substitution or coupling reactions, while the carboxylic acid group allows for derivatization or salt formation. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules. Its stability and well-defined reactivity profile make it a reliable reagent for research and industrial applications.
4-BROMO-2-PHENYL-BUTYRIC ACID structure
4-BROMO-2-PHENYL-BUTYRIC ACID structure
Product Name:4-BROMO-2-PHENYL-BUTYRIC ACID
CAS No:6836-99-3
MF:C10H11BrO2
MW:243.097142457962
CID:878639
PubChem ID:16740605
Update Time:2025-06-14

4-BROMO-2-PHENYL-BUTYRIC ACID Chemical and Physical Properties

Names and Identifiers

    • 4-BROMO-2-PHENYL-BUTYRIC ACID
    • 4-bromo-2-phenylbutanoic acid
    • (RS)-4-Bromo-2-phenylbutanoic acid
    • 4-Brom-2-phenyl-buttersaeure
    • 4-bromo-2-phenylbutyric acid
    • GL-0889
    • DTXSID00587609
    • MFCD09027877
    • SCHEMBL4086184
    • 6836-99-3
    • AKOS005255842
    • XUHOQWJGOZLWST-UHFFFAOYSA-N
    • Inchi: 1S/C10H11BrO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
    • InChI Key: XUHOQWJGOZLWST-UHFFFAOYSA-N
    • SMILES: BrCCC(C(=O)O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 241.99400
  • Monoisotopic Mass: 241.99424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 164
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 2.63980

4-BROMO-2-PHENYL-BUTYRIC ACID Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-BROMO-2-PHENYL-BUTYRIC ACID Pricemore >>

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Additional information on 4-BROMO-2-PHENYL-BUTYRIC ACID

Comprehensive Overview of 4-BROMO-2-PHENYL-BUTYRIC ACID (CAS No. 6836-99-3): Properties, Applications, and Industry Insights

4-Bromo-2-phenyl-butyric acid (CAS No. 6836-99-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural features. This bromo-substituted phenyl derivative serves as a versatile intermediate in synthetic chemistry, particularly in the development of bioactive molecules. The compound's molecular formula, C10H11BrO2, highlights its balanced combination of aromatic and aliphatic characteristics, making it valuable for structure-activity relationship (SAR) studies.

Recent trends in drug discovery have amplified interest in 4-bromo-2-phenyl-butyric acid, as researchers explore its potential in designing enzyme inhibitors and small-molecule therapeutics. The phenyl ring provides a stable aromatic platform, while the bromo substituent offers excellent reactivity for further functionalization. This dual functionality addresses common search queries like "how to modify phenyl butyric acid derivatives" and "brominated building blocks for medicinal chemistry," reflecting its relevance in modern organic synthesis.

From a physicochemical perspective, 4-bromo-2-phenyl-butyric acid typically appears as a white to off-white crystalline powder with moderate solubility in polar organic solvents. Its carboxylic acid group enables salt formation, expanding its utility in pharmaceutical formulations. Analytical techniques such as HPLC purification and NMR characterization are frequently discussed in relation to this compound, addressing common technical questions about "purity analysis of bromo-phenyl compounds" in research forums.

The compound's applications extend to material science, where its aromatic-bromo synergy facilitates the creation of advanced polymeric materials. Industry professionals often search for "4-bromo-2-phenyl-butyric acid crosslinking applications" or "thermal stability of brominated aromatics," indicating its growing role in specialty chemicals. Recent patents highlight its use in developing high-performance coatings with enhanced durability, aligning with sustainability trends in materials engineering.

Quality control of CAS 6836-99-3 remains a critical discussion point, with analytical chemists emphasizing proper storage conditions (typically 2-8°C in airtight containers) to maintain stability. The scientific community actively researches its metabolic pathways when used in biological systems, responding to frequent queries about "degradation products of phenyl-butyric acid derivatives." These investigations support safer application in life science research while meeting regulatory requirements.

Emerging studies explore the compound's potential in asymmetric synthesis, particularly for creating chiral intermediates. This application addresses the pharmaceutical industry's demand for enantiomerically pure compounds, a hot topic in organic chemistry circles. Technical discussions often focus on "stereoselective reactions using 4-bromo-2-phenyl-butyric acid" and "resolution techniques for brominated acids," demonstrating its role in cutting-edge synthetic methodologies.

Market analysis reveals growing demand for 4-bromo-2-phenyl-butyric acid across North America and Europe, driven by expanding contract research organizations and specialty chemical manufacturers. Suppliers increasingly address search queries like "reliable sources of CAS 6836-99-3" and "bulk quantities of bromo-phenyl butyric acid," reflecting commercial interest. The compound's supply chain dynamics have become particularly relevant post-pandemic, as industries prioritize local sourcing of key intermediates.

Environmental considerations surrounding brominated organic compounds have prompted research into greener synthesis routes for 6836-99-3. Recent publications discuss catalytic bromination methods and waste minimization strategies, responding to concerns about "sustainable production of halogenated intermediates." These developments align with global initiatives for green chemistry while maintaining the compound's synthetic utility.

In analytical applications, 4-bromo-2-phenyl-butyric acid serves as a valuable reference standard for method development. Laboratories frequently search for "HPLC calibration with brominated acids" and "mass spectrometry fragmentation patterns of phenyl-butyric derivatives," underscoring its diagnostic importance. The compound's distinct spectroscopic signatures facilitate reliable identification in complex matrices, supporting quality assurance protocols.

Future research directions for CAS 6836-99-3 may explore its potential in bioconjugation chemistry and prodrug design, areas generating substantial academic interest. The compound's balanced lipophilicity profile (calculated LogP ~2.1) makes it particularly intriguing for drug delivery system development. These applications respond to trending searches about "improving bioavailability with brominated carriers" in pharmaceutical forums.

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