Cas no 31161-47-4 ((3-Bromophenyl)(2-thienyl)methanone)

(3-Bromophenyl)(2-thienyl)methanone is a brominated aromatic ketone featuring a thiophene moiety, serving as a versatile intermediate in organic synthesis and pharmaceutical research. Its distinct structure, combining a 3-bromophenyl group with a 2-thienyl carbonyl unit, enables selective functionalization, making it valuable for cross-coupling reactions and heterocyclic compound development. The bromine substituent enhances reactivity for further derivatization, while the thienyl group contributes to electronic diversity in molecular design. This compound is particularly useful in medicinal chemistry for scaffold modification and ligand preparation. High purity grades ensure consistent performance in rigorous applications. Proper handling under inert conditions is recommended due to sensitivity to moisture and air.
(3-Bromophenyl)(2-thienyl)methanone structure
31161-47-4 structure
Product Name:(3-Bromophenyl)(2-thienyl)methanone
CAS No:31161-47-4
MF:C11H7BrOS
MW:267.141680955887
MDL:MFCD07658070
CID:1056618
PubChem ID:5305254
Update Time:2025-08-05

(3-Bromophenyl)(2-thienyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (3-Bromophenyl)(thiophen-2-yl)methanone
    • (3-Bromophenyl)(2-thienyl)methanone
    • (3-bromophenyl)-2-thienylMethanone
    • m-bromophenyl-2-thienyl ketone
    • (3-bromophenyl)-thiophen-2-ylmethanone
    • CS-0312620
    • Methanone, (3-bromophenyl)2-thienyl-
    • MFCD07658070
    • Methanone, (3-bromophenyl)-2-thienyl-
    • DTXSID40415452
    • AS-32598
    • SY014491
    • AKOS003395330
    • ALBB-026078
    • 2-(m-bromobenzoyl)thiophene
    • STK736232
    • RQQDVYVFIYKWNT-UHFFFAOYSA-N
    • 31161-47-4
    • DB-068406
    • MDL: MFCD07658070
    • Inchi: 1S/C11H7BrOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H
    • InChI Key: RQQDVYVFIYKWNT-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C(C1=CC=CS1)=O

Computed Properties

  • Exact Mass: 265.94011
  • Monoisotopic Mass: 265.94010g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 369.4±22.0 °C at 760 mmHg
  • Flash Point: 177.2±22.3 °C
  • PSA: 17.07
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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Additional information on (3-Bromophenyl)(2-thienyl)methanone

(3-Bromophenyl)(2-thienyl)methanone: A Comprehensive Overview

The compound with CAS No 31161-47-4, commonly referred to as (3-Bromophenyl)(2-thienyl)methanone, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a bromophenyl group with a thienyl group, connected through a methanone functional group. The combination of these groups imparts distinctive electronic and structural properties, making it a valuable compound for various applications.

Recent studies have highlighted the potential of (3-Bromophenyl)(2-thienyl)methanone in the development of advanced materials, particularly in the realm of organic electronics. Researchers have explored its ability to act as a building block for constructing π-conjugated systems, which are essential for applications such as organic light-emitting diodes (OLEDs) and photovoltaic devices. The bromine atom in the phenyl group introduces electron-withdrawing effects, while the thienyl group contributes to the molecule's conjugation length and stability.

In addition to its electronic properties, (3-Bromophenyl)(2-thienyl)methanone has also been investigated for its potential in medicinal chemistry. The compound's structure suggests that it may exhibit bioactivity, particularly in modulating cellular signaling pathways. Recent research has focused on its ability to interact with specific protein targets, potentially leading to the development of novel therapeutic agents.

The synthesis of (3-Bromophenyl)(2-thienyl)methanone typically involves multi-step organic reactions, including Friedel-Crafts acylation and subsequent bromination. These methods have been optimized to achieve high yields and purity, ensuring that the compound is readily available for further studies and applications.

Moreover, computational studies have provided deeper insights into the electronic structure and reactivity of (3-Bromophenyl)(2-thienyl)methanone. Density functional theory (DFT) calculations have revealed that the molecule exhibits significant π-conjugation across its framework, which enhances its ability to participate in charge transfer processes. This property is particularly advantageous for applications in organic electronics.

In conclusion, (3-Bromophenyl)(2-thienyl)methanone stands out as a versatile compound with promising applications in multiple domains. Its unique structure and electronic properties make it an attractive candidate for further research and development. As advancements in synthetic methods and computational modeling continue to evolve, the potential of this compound is expected to expand even further.

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