Cas no 223785-76-0 (1-(2,6-Dichloro-3-nitrophenyl)ethanone)

1-(2,6-Dichloro-3-nitrophenyl)ethanone is a chlorinated nitro aromatic ketone with applications in pharmaceutical and agrochemical synthesis. Its structure, featuring both electron-withdrawing chloro and nitro substituents, enhances reactivity in nucleophilic substitution and condensation reactions, making it a valuable intermediate. The compound's high purity and stability under standard conditions ensure consistent performance in multi-step synthetic processes. Its well-defined molecular framework allows precise functionalization, facilitating the development of complex derivatives. The presence of the acetyl group at the 1-position further broadens its utility in heterocyclic chemistry. Suitable for controlled environments, it is typically handled with standard safety precautions for nitro and halogenated compounds.
1-(2,6-Dichloro-3-nitrophenyl)ethanone structure
223785-76-0 structure
Product Name:1-(2,6-Dichloro-3-nitrophenyl)ethanone
CAS No:223785-76-0
MF:C8H5Cl2NO3
MW:234.036200284958
MDL:MFCD17170414
CID:1035935
PubChem ID:10353968
Update Time:2025-06-14

1-(2,6-Dichloro-3-nitrophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(2,6-Dichloro-3-nitrophenyl)ethanone
    • 2',6'-dichloro-3'-nitro-acetophenone
    • 2',6'-DICHLORO-3'-NITROACETOPHENONE
    • AK112757
    • KB-67669
    • SureCN5725938
    • 1-(2,6-DICHLORO-3-NITROPHENYL)ETHAN-1-ONE
    • CS-0155134
    • DB-355428
    • YIA78576
    • 2,6-DICHLORO-3-NITROACETOPHENONE
    • D82124
    • DTXSID90438595
    • MFCD17170414
    • BS-16084
    • SCHEMBL5725938
    • 223785-76-0
    • AKOS016000278
    • MDL: MFCD17170414
    • Inchi: 1S/C8H5Cl2NO3/c1-4(12)7-5(9)2-3-6(8(7)10)11(13)14/h2-3H,1H3
    • InChI Key: NAMVLFOWONWZFY-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=C(C=1C(C)=O)Cl)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 232.9646484g/mol
  • Monoisotopic Mass: 232.9646484g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 2.7
  • Topological Polar Surface Area: 62.9?2

1-(2,6-Dichloro-3-nitrophenyl)ethanone Pricemore >>

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Additional information on 1-(2,6-Dichloro-3-nitrophenyl)ethanone

Comprehensive Overview of 1-(2,6-Dichloro-3-nitrophenyl)ethanone (CAS No. 223785-76-0): Properties, Applications, and Industry Insights

1-(2,6-Dichloro-3-nitrophenyl)ethanone, with the CAS number 223785-76-0, is a specialized organic compound widely recognized for its role in pharmaceutical and agrochemical synthesis. This nitrophenyl derivative features a unique molecular structure, combining a dichloro-substituted benzene ring with a nitro group and an acetyl moiety. Its high purity and reactivity make it invaluable for constructing complex molecules, particularly in drug discovery and crop protection formulations.

In recent years, the demand for 1-(2,6-Dichloro-3-nitrophenyl)ethanone has surged due to its applications in developing next-generation APIs (Active Pharmaceutical Ingredients). Researchers frequently search for "CAS 223785-76-0 solubility" or "synthetic routes for nitrophenyl ketones," reflecting its technical significance. The compound's electron-withdrawing groups enhance its utility in cross-coupling reactions, a hot topic in green chemistry discussions.

From an industrial perspective, 1-(2,6-Dichloro-3-nitrophenyl)ethanone aligns with the growing focus on sustainable synthesis. Laboratories optimizing "eco-friendly nitration methods" often employ this intermediate. Its melting point (128-131°C) and molecular weight (248.05 g/mol) are critical parameters for quality control, as evidenced by frequent queries like "CAS 223785-76-0 specifications" in analytical databases.

The compound's structural versatility also attracts attention in material science. Studies exploring "nitroaromatics for OLEDs" highlight its potential in electronic materials. When handling 1-(2,6-Dichloro-3-nitrophenyl)ethanone, proper storage conditions (e.g., inert atmosphere) are essential to maintain stability—a key concern for purchasers searching for "223785-76-0 handling guidelines."

Innovative applications continue to emerge, particularly in photocatalysis and bioconjugation. The nitro group's reducibility enables selective transformations, addressing the pharmaceutical industry's need for "selective functionalization techniques." Regulatory-compliant synthesis remains a priority, with searches for "GMP-grade nitrophenyl intermediates" reflecting market trends.

Analytical characterization of CAS 223785-76-0 typically involves HPLC, GC-MS, and NMR spectroscopy. Recent publications on "advanced spectral analysis of halogenated ketones" underscore its analytical complexity. Suppliers emphasizing batch-to-batch consistency gain traction, as evidenced by procurement teams evaluating "223785-76-0 supplier QC data."

Future research directions may explore its catalytic applications or modifications to enhance biodegradability—topics gaining traction in "green chemistry forums." As synthetic methodologies evolve, 1-(2,6-Dichloro-3-nitrophenyl)ethanone will likely maintain its status as a high-value building block for multidisciplinary innovation.

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