Cas no 61941-91-1 (5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride)

5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride is a high-purity organic compound primarily used as a key intermediate in pharmaceutical and agrochemical synthesis. Its reactive carbonyl chloride group enables efficient derivatization, making it valuable for constructing complex heterocyclic structures. The dichlorophenyl substituent enhances its utility in producing biologically active molecules, particularly in the development of antifungal and antibacterial agents. The compound exhibits excellent stability under controlled conditions, ensuring reliable performance in multi-step synthetic processes. Its well-defined structure and consistent reactivity profile make it a preferred choice for research and industrial applications requiring precise molecular modifications. Proper handling under inert conditions is recommended due to its moisture sensitivity.
5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride structure
61941-91-1 structure
Product Name:5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride
CAS No:61941-91-1
MF:C11H5Cl3O2
MW:275.515200376511
CID:1634757
PubChem ID:3873501
Update Time:2025-06-08

5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Furancarbonyl chloride, 5-(3,4-dichlorophenyl)-
    • 5-(3,4-dichlorophenyl)furan-2-carbonyl chloride
    • AKOS000289097
    • MFCD02257993
    • 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride
    • 61941-91-1
    • DS-016889
    • DTXSID90397678
    • 5-(3,4-Dichlorophenyl)-2-furoyl chloride, AldrichCPR
    • MDL: MFCD02257993
    • Inchi: 1S/C11H5Cl3O2/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H
    • InChI Key: XQRLANCABKJNFO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)C1=CC=C(C(=O)Cl)O1)Cl

Computed Properties

  • Exact Mass: 273.93565
  • Monoisotopic Mass: 273.936
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 272
  • 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
  • Topological Polar Surface Area: 30.2A^2
  • XLogP3: 4.7

Experimental Properties

  • PSA: 30.21

5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride Security Information

  • Hazardous Material transportation number:UN3261
  • HazardClass:8
  • PackingGroup:III

5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride Pricemore >>

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Additional information on 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride

Introduction to 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride (CAS No: 61941-91-1)

5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride, identified by the Chemical Abstracts Service Number (CAS No) 61941-91-1, is a significant intermediate in the realm of organic synthesis and pharmaceutical development. This compound belongs to the class of furan derivatives, characterized by its unique structural framework that includes a furan ring substituted with a 3,4-Dichloro-Phenyl group and a Carbonyl Chloride moiety. The presence of both chloro substituents and the carbonyl chloride functionality makes it a versatile building block for synthesizing more complex molecules, particularly in the context of drug discovery and medicinal chemistry.

The 3,4-Dichloro-Phenyl group introduces a high degree of electronic and steric tunability, enabling chemists to modulate the reactivity and properties of the compound. This feature is particularly valuable in designing molecules with specific biological activities. The Carbonyl Chloride group, on the other hand, is a highly reactive electrophile that readily participates in nucleophilic addition reactions, making it an excellent precursor for constructing various heterocyclic structures. These characteristics have positioned 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride as a cornerstone in the synthesis of pharmacologically relevant compounds.

In recent years, there has been growing interest in furan-based derivatives due to their broad spectrum of biological activities. Furan rings are prevalent in many natural products and bioactive molecules, including antifungal, antibacterial, and anticancer agents. The structural motif of 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride aligns well with this trend, offering a scaffold that can be further functionalized to explore new therapeutic avenues. For instance, researchers have leveraged this compound to develop novel inhibitors targeting specific enzymatic pathways implicated in diseases such as cancer and inflammation.

One of the most compelling applications of 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride lies in its role as a key intermediate in the synthesis of peptide mimetics. Peptides are essential signaling molecules in biological systems, but their use as therapeutics is often limited by issues such as poor bioavailability and rapid degradation. By incorporating furan-based structures into peptide mimetics, scientists can enhance stability and bioactivity. The Carbonyl Chloride group facilitates the formation of amide bonds, which are crucial for constructing these peptide-like entities. This has led to the development of novel compounds with improved pharmacokinetic profiles.

Another area where 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride has made significant contributions is in the field of material science. The unique electronic properties of the furan ring make it an attractive component for designing organic semiconductors and conductive polymers. Researchers have explored its use in creating materials with applications ranging from flexible electronics to energy storage devices. The 3,4-Dichloro-Phenyl substituent further enhances its utility by providing additional sites for chemical modification, allowing for fine-tuning of material properties such as conductivity and optical characteristics.

The synthesis of 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride typically involves multi-step organic transformations starting from readily available precursors. One common approach involves the chlorination of a furan derivative followed by carbonylation to introduce the carbonyl chloride functionality. Recent advancements in synthetic methodologies have improved the efficiency and scalability of these processes, making it more feasible to produce larger quantities of the compound for industrial applications. These advancements underscore the growing importance of intermediates like 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride in modern chemical research.

In conclusion, 5-(3,4-Dichloro-Phenyl)-Furan-2-Carbonyl Chloride (CAS No: 61941-91-1) is a multifaceted compound with far-reaching implications in pharmaceuticals and materials science. Its unique structural features make it an invaluable tool for synthesizing complex molecules with diverse biological activities. As research continues to uncover new applications for furan derivatives, compounds like this are poised to play an increasingly pivotal role in shaping the future of drug discovery and advanced materials development.

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