Cas no 42860-33-3 (Benzoyl chloride,2,3,5-triiodo-)

Benzoyl chloride, 2,3,5-triiodo- is a highly iodinated aromatic compound characterized by its reactive acyl chloride functional group. The presence of three iodine atoms at the 2, 3, and 5 positions enhances its utility in electrophilic substitution and coupling reactions, making it valuable in synthetic organic chemistry. Its high molecular weight and electron-deficient aromatic ring contribute to its effectiveness as an intermediate in the synthesis of iodinated pharmaceuticals, agrochemicals, and specialty materials. The compound’s stability under controlled conditions and precise reactivity profile allow for selective functionalization, supporting applications in complex molecular constructions. Proper handling is required due to its moisture sensitivity and potential corrosivity.
Benzoyl chloride,2,3,5-triiodo- structure
42860-33-3 structure
Product Name:Benzoyl chloride,2,3,5-triiodo-
CAS No:42860-33-3
MF:C7H2ClI3O
MW:518.256597995758
MDL:MFCD01859916
CID:328204
PubChem ID:2760806
Update Time:2025-06-08

Benzoyl chloride,2,3,5-triiodo- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride,2,3,5-triiodo-
    • 2,3,5-triiodoBenzoyl chloride
    • 2,3,5-TRIIODO-BENZOYL CHLORIDE
    • 2,3,5-Trijod-benzoylchlorid
    • AC1MC3IT
    • AG-F-52151
    • AI-942
    • CTK4I6707
    • AKOS030240172
    • 42860-33-3
    • FT-0765729
    • DTXSID00375361
    • QGSBFOJSKVVSPS-UHFFFAOYSA-N
    • SY246172
    • MFCD01859916
    • SCHEMBL879357
    • AI-942/25034315
    • MDL: MFCD01859916
    • Inchi: 1S/C7H2ClI3O/c8-7(12)4-1-3(9)2-5(10)6(4)11/h1-2H
    • InChI Key: QGSBFOJSKVVSPS-UHFFFAOYSA-N
    • SMILES: IC1C(=CC(=CC=1C(=O)Cl)I)I

Computed Properties

  • Exact Mass: 517.6928g/mol
  • Monoisotopic Mass: 517.6928g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 4.4
  • Topological Polar Surface Area: 17.1?2

Benzoyl chloride,2,3,5-triiodo- Pricemore >>

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Benzoyl chloride,2,3,5-triiodo- Related Literature

Additional information on Benzoyl chloride,2,3,5-triiodo-

Comprehensive Analysis of Benzoyl chloride,2,3,5-triiodo- (CAS No. 42860-33-3): Properties, Applications, and Industry Trends

Benzoyl chloride,2,3,5-triiodo- (CAS 42860-33-3) is a specialized organic compound gaining attention in pharmaceutical intermediates and material science. This halogenated derivative of benzoyl chloride features a unique molecular structure with three iodine atoms at the 2, 3, and 5 positions, making it valuable for precision chemical synthesis. Researchers increasingly focus on its role in creating high-performance polymers and bioactive molecules, aligning with current trends in green chemistry and sustainable synthesis.

The compound's triiodo-substitution pattern enhances its reactivity in electrophilic aromatic substitution reactions, a property exploited in advanced material development. Recent studies highlight its utility in designing X-ray contrast agents and photoactive compounds, addressing growing demands in medical imaging and optoelectronics. With molecular weight of 463.31 g/mol and characteristic crystalline form, it demonstrates excellent stability under controlled conditions, making it suitable for precision manufacturing processes.

Industry reports indicate rising interest in Benzoyl chloride,2,3,5-triiodo- for organic electronics applications, particularly in developing novel semiconductor materials. Its heavy atom effect makes it valuable for spin-orbit coupling studies in quantum materials research. Manufacturers are optimizing production methods to meet pharmaceutical grade standards, responding to queries about purity requirements and analytical methods commonly searched in scientific databases.

From a safety perspective, proper handling protocols are essential due to its moisture-sensitive nature. The compound's spectroscopic properties (including distinct IR and NMR signatures) facilitate quality control, a frequent topic in analytical chemistry forums. Recent patent filings reveal innovative applications in catalysis and polymeric stabilizers, demonstrating its versatility beyond traditional uses.

Environmental considerations drive research into waste minimization strategies during synthesis. The compound's iodine-rich structure presents opportunities in radioimaging and theranostic applications, addressing trending searches about medical diagnostics. Analytical techniques like HPLC-MS are commonly employed for characterization, reflecting laboratory professionals' interest in reliable identification methods.

Market analysts note steady growth in demand for high-purity Benzoyl chloride,2,3,5-triiodo-, particularly from specialty chemical sectors. Its role in synthesizing liquid crystal materials aligns with display technology advancements. Researchers frequently investigate its crystallographic data and solubility profiles, as evidenced by academic citation patterns and search engine query trends.

Future applications may exploit its heavy-atom effect in organic photovoltaics and phosphorescent materials, areas receiving increased R&D investment. The compound's structure-activity relationships continue to inspire medicinal chemistry investigations, particularly in designing targeted therapeutics. Quality assurance protocols emphasize residual solvent control and isotopic purity measurements, addressing common industry concerns.

Technical discussions often center on optimizing synthetic yields and purification methods for CAS 42860-33-3. Its compatibility with microwave-assisted synthesis techniques reflects modern chemical engineering priorities. The compound's electronic properties make it valuable for developing molecular sensors, responding to searches about smart materials and detection technologies.

In regulatory contexts, proper storage conditions and stability testing protocols are frequently discussed topics. The scientific community shows growing interest in its potential for cascade reactions and multicomponent synthesis, as seen in recent conference proceedings. Analytical challenges related to isomeric purity and thermal behavior generate substantial literature and online inquiries.

Emerging applications in coordination chemistry and metal-organic frameworks demonstrate the compound's expanding utility. Its iodine substitution pattern enables precise molecular editing in complex syntheses, a capability highlighted in recent methodology papers. The compound's role in click chemistry transformations addresses current interests in modular synthesis approaches.

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