Cas no 10531-43-8 (2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone)

2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone is a brominated ketone derivative featuring a phenyl-substituted thiophene core. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceuticals. Its reactive α-bromo ketone moiety enables efficient functionalization through nucleophilic substitution or cross-coupling reactions. The phenyl-thiophene scaffold enhances structural diversity, making it valuable for designing bioactive molecules or materials with tailored properties. The compound exhibits stability under controlled conditions, ensuring reliable handling in synthetic applications. Its well-defined structure and reactivity profile make it a useful building block for research in medicinal chemistry and materials science. Proper storage under inert conditions is recommended to maintain purity.
2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone structure
10531-43-8 structure
Product Name:2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone
CAS No:10531-43-8
MF:C12H9BrOS
MW:281.168261289597
CID:134292
Update Time:2025-06-26

2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2-bromo-1-(5-phenyl-2-thienyl)-
    • 2-(BROMOACETYL)-5-PHENYLTHIOPHENE
    • 2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone
    • 2-bromo-1-(5-phenylthiophen-2-yl)ethanone
    • 2-Brom-1-(5-phenyl-[2]thienyl)-aethanon
    • 2-bromo-1-(5-phenyl-[2]thienyl)-ethanone
    • 2-bromo-1-(5-phenyl-thiophen-2-yl)-ethanone
    • bromomethyl 5-phenyl-2-thienyl ketone
    • bromomethyl 5-phenyl-thien-2-yl ketone
    • 2-Bromo-1-(5-phenylthien-2-yl)ethan-1-one
    • 2-broMo-1-(5-phenyl-thiophen-2-yl)-1-ethanone
    • Inchi: InChI=1S/C12H9BrOS/c13-8-10(14)12-7-6-11(15-12)9-4-2-1-3-5-9/h1-7H,8H2
    • InChI Key: BOIAFAJKOBVLGS-UHFFFAOYSA-N
    • SMILES: BrCC(C1=CC=C(C2C=CC=CC=2)S1)=O

Computed Properties

  • Exact Mass: 279.95600

Experimental Properties

  • Melting Point: 115 °C
  • PSA: 45.31000
  • LogP: 3.99270

2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S37/39

2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone

Comprehensive Overview of 2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone (CAS No. 10531-43-8): Properties, Applications, and Industry Insights

2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone (CAS No. 10531-43-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This brominated ketone derivative features a unique molecular structure combining a thiophene ring with a phenyl group, making it valuable for synthesizing complex heterocyclic compounds. Its molecular formula C12H9BrOS and precise chemical properties have been extensively documented in peer-reviewed journals, particularly for applications in medicinal chemistry and organic synthesis.

Recent trends in drug discovery highlight the growing demand for thiophene-based intermediates like 2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone. Researchers frequently search for "synthetic routes for brominated thienyl ketones" or "CAS 10531-43-8 solubility data," reflecting its importance in developing kinase inhibitors and antiviral agents. The compound's crystallographic data (available in Cambridge Structural Database) reveals a planar configuration that facilitates π-π stacking interactions, a feature exploited in small molecule drug design.

From a material science perspective, this compound serves as a precursor for conductive polymers and organic semiconductors. Industry reports show increased searches for "thiophene derivatives for OLEDs" and "10531-43-8 thermal stability," aligning with the push for flexible electronics. The bromine substituent at the alpha position enables efficient cross-coupling reactions, particularly in palladium-catalyzed transformations used to construct π-conjugated systems.

Analytical studies of CAS 10531-43-8 reveal optimal HPLC purification methods (>98% purity achievable with C18 reverse-phase columns) and storage conditions (recommended at 2-8°C under inert atmosphere). Safety data sheets emphasize standard laboratory handling protocols, while patent literature demonstrates its utility in photoredox catalysis systems – a hot topic in green chemistry discussions.

The commercial availability of 2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone through major chemical suppliers has expanded significantly since 2020, with market analysts noting 23% annual growth in specialty ketone demand. This correlates with rising Google search volumes for "buy 10531-43-8" and "thienyl ketone suppliers." Current research explores its potential in bioconjugation chemistry, particularly for developing fluorescent probes used in biological imaging.

Environmental considerations regarding brominated compounds have led to innovations in waste treatment protocols for 10531-43-8. Recent publications describe advanced oxidation processes for byproduct degradation, addressing sustainability concerns frequently raised in pharmaceutical manufacturing forums. The compound's structure-activity relationships continue to be investigated through computational chemistry approaches, with particular interest in its electrostatic potential maps for molecular docking studies.

Emerging applications in agrochemical research utilize 2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone as a building block for crop protection agents, evidenced by patent filings from major agricultural chemical companies. This development corresponds with increased searches for "thiophene pesticides" and "heterocyclic agrochemicals." Analytical techniques like LC-MS and NMR spectroscopy provide reliable characterization data, crucial for quality control in scale-up production.

Academic laboratories frequently employ CAS 10531-43-8 in multicomponent reactions, with recent literature highlighting its role in synthesizing polycyclic aromatic systems. The compound's reaction kinetics have been modeled using density functional theory (DFT), yielding insights into its nucleophilic substitution behavior. These findings address common researcher queries about "thienyl ketone reactivity" and "bromine leaving group efficiency."

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