Cas no 58119-67-8 (1-(5-chlorothiophen-3-yl)ethan-1-one)

1-(5-Chlorothiophen-3-yl)ethan-1-one is a chlorinated thiophene derivative with a ketone functional group, serving as a versatile intermediate in organic synthesis. Its structural features, including the reactive acetyl group and electron-withdrawing chlorine substituent, make it valuable for constructing heterocyclic compounds, pharmaceuticals, and agrochemicals. The compound exhibits stability under standard conditions while offering selective reactivity for functionalization, such as nucleophilic substitution or condensation reactions. Its well-defined molecular structure ensures consistent performance in synthetic applications, particularly in the development of biologically active molecules. The presence of the thiophene ring further enhances its utility in materials science, where conjugated systems are of interest. Suitable for controlled laboratory use with proper handling protocols.
1-(5-chlorothiophen-3-yl)ethan-1-one structure
58119-67-8 structure
Product Name:1-(5-chlorothiophen-3-yl)ethan-1-one
CAS No:58119-67-8
MF:C6H5ClOS
MW:160.621299505234
MDL:MFCD00082792
CID:820136
PubChem ID:15557503
Update Time:2025-05-19

1-(5-chlorothiophen-3-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Chlorothiophen-3-yl)ethanone
    • AKOS 91755
    • 3-Acetyl-5-chlorothiophen...
    • 3-ACETYL-5-CHLOROTHIOPHENE
    • 1-(5-CHLOROTHIOPHEN-3-YL)ETHAN-1-ONE
    • PubChem24099
    • 2-chloro-4-acetylthiophene
    • EBD598716
    • 1-(5-Chlorothiophen-3-yl);ethanone
    • PB18443
    • 3-Acetyl-5-chlorothiophene, AldrichCPR
    • AB0042816
    • ST24037440
    • Z0709
    • A22180
    • 1-(5-chlorothiophen-3-yl)ethan-1-one
    • MDL: MFCD00082792
    • Inchi: 1S/C6H5ClOS/c1-4(8)5-2-6(7)9-3-5/h2-3H,1H3
    • InChI Key: CPHPSPVYDLDWBL-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CS1)C(C)=O

Computed Properties

  • Exact Mass: 159.97500
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 126
  • Topological Polar Surface Area: 45.3

Experimental Properties

  • PSA: 45.31000
  • LogP: 2.60410

1-(5-chlorothiophen-3-yl)ethan-1-one 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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1-(5-chlorothiophen-3-yl)ethan-1-one Production Method

Additional information on 1-(5-chlorothiophen-3-yl)ethan-1-one

Comprehensive Overview of 1-(5-chlorothiophen-3-yl)ethan-1-one (CAS No. 58119-67-8): Properties, Applications, and Industry Insights

1-(5-chlorothiophen-3-yl)ethan-1-one (CAS 58119-67-8), a specialized organic compound featuring a chlorothiophene backbone, has garnered significant attention in pharmaceutical and agrochemical research. This ketone derivative exhibits unique electronic properties due to the synergistic effect of the chloro-substituent and thiophene ring, making it valuable for designing advanced materials. Recent studies highlight its role as a precursor in synthesizing heterocyclic compounds, particularly in developing crop protection agents and pharmaceutical intermediates.

The compound's molecular structure (C6H5ClOS) combines a 5-chlorothiophene-3-yl group with an acetyl moiety, creating a versatile scaffold for cross-coupling reactions. Industry reports indicate growing demand for such halogenated thiophene derivatives in organic electronics, where they contribute to improved charge transport in OLED materials. Analytical techniques like HPLC and GC-MS confirm its high purity (>98%), a critical parameter for researchers investigating structure-activity relationships in medicinal chemistry.

Environmental considerations surrounding chlorinated compounds have led to innovations in sustainable synthesis methods for 58119-67-8. A 2023 study demonstrated a catalyst-free approach using green solvents, aligning with the pharmaceutical industry's push toward green chemistry principles. This development addresses frequent search queries about "eco-friendly synthesis of thiophene derivatives" and "biodegradable intermediates," reflecting market trends toward sustainable production.

In material science applications, the electron-withdrawing character of the chloro group in 1-(5-chlorothiophen-3-yl)ethan-1-one enhances its utility in designing conductive polymers. Patent analyses reveal its incorporation in organic semiconductors for flexible electronics, responding to industry demands for wearable technology materials. These applications correlate with trending searches for "thiophene-based electronic materials" and "small molecule organic semiconductors."

Quality control protocols for CAS 58119-67-8 emphasize rigorous spectroscopic characterization, including 1H/13C NMR and FTIR analysis. Recent advancements in process analytical technology (PAT) enable real-time monitoring during production, ensuring batch-to-batch consistency—a key concern for manufacturers addressing queries about "purity standards for research chemicals." The compound's stability profile under various storage conditions (2-8°C in amber glass) makes it suitable for global distribution networks.

Emerging research explores the compound's potential in photocatalysis and energy storage systems, with particular interest in its redox-active properties. A 2024 publication highlighted its modified derivatives as components in next-generation battery materials, coinciding with increased searches for "organic electrode materials." This interdisciplinary applicability positions 1-(5-chlorothiophen-3-yl)ethan-1-one as a compound of interest across multiple high-growth sectors.

Regulatory compliance remains paramount when handling this compound. While not classified as hazardous under current GHS standards, proper laboratory safety protocols should be followed. Industry best practices recommend engineering controls and personal protective equipment (PPE) during handling, addressing common workplace safety queries related to specialty chemical handling.

The global market for chlorothiophene derivatives like 58119-67-8 is projected to grow at 6.2% CAGR through 2030, driven by demand from Asia-Pacific pharmaceutical hubs. Supply chain analytics indicate increasing preference for just-in-time manufacturing of such intermediates, reflecting industry responses to searches about "reliable specialty chemical suppliers." Technical specifications typically require residual solvent levels below 0.1% and heavy metal content under 10 ppm.

Future research directions focus on expanding the compound's utility through click chemistry modifications and bioconjugation techniques. Recent conferences have highlighted its potential in developing theranostic agents, merging diagnostic and therapeutic functions—a hot topic in searches for "multifunctional pharmaceutical building blocks." These developments underscore the compound's evolving role in cutting-edge chemical innovation.

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