Cas no 117539-28-3 (1,1,1,2,2-pentafluoro-4-iodooctane)

1,1,1,2,2-Pentafluoro-4-iodooctane is a fluorinated alkyl iodide compound characterized by its unique combination of pentafluoro and iodo functional groups. This structure imparts high thermal and chemical stability, making it suitable for applications in specialty solvents, intermediates in organic synthesis, and fluorochemical research. The presence of iodine enhances its reactivity in substitution and coupling reactions, while the perfluorinated segment contributes to hydrophobicity and resistance to degradation. Its well-defined molecular architecture allows for precise modifications in advanced material design. The compound is particularly valuable in pharmaceutical and agrochemical development, where controlled fluorination is critical for tuning bioavailability and stability.
1,1,1,2,2-pentafluoro-4-iodooctane structure
117539-28-3 structure
Product Name:1,1,1,2,2-pentafluoro-4-iodooctane
CAS No:117539-28-3
MF:C8H12F5I
MW:330.077372550964
CID:2615424
PubChem ID:14028191
Update Time:2025-05-19

1,1,1,2,2-pentafluoro-4-iodooctane Chemical and Physical Properties

Names and Identifiers

    • 1,1,1,2,2-pentafluoro-4-iodooctane
    • TWRDGEVFVONRST-UHFFFAOYSA-N
    • SCHEMBL9854357
    • AKOS016015374
    • MFCD18641884
    • 4-IODO-1,1,1,2,2-PENTAFLUOROOCTANE
    • 117539-28-3
    • DTXSID00554598
    • Inchi: 1S/C8H12F5I/c1-2-3-4-6(14)5-7(9,10)8(11,12)13/h6H,2-5H2,1H3
    • InChI Key: TWRDGEVFVONRST-UHFFFAOYSA-N
    • SMILES: IC(CC(C(F)(F)F)(F)F)CCCC

Computed Properties

  • Exact Mass: 329.99039Da
  • Monoisotopic Mass: 329.99039Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.593±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 198.3±8.0 oC (760 Torr),
  • Flash Point: 82.1±5.6 oC,
  • Solubility: Insuluble (1.4E-3 g/L) (25 oC),

1,1,1,2,2-pentafluoro-4-iodooctane Pricemore >>

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Additional information on 1,1,1,2,2-pentafluoro-4-iodooctane

Comprehensive Overview of 1,1,1,2,2-Pentafluoro-4-iodooctane (CAS No. 117539-28-3)

1,1,1,2,2-Pentafluoro-4-iodooctane (CAS No. 117539-28-3) is a fluorinated organic compound that has garnered significant attention in recent years due to its unique chemical properties and versatile applications. As a member of the perfluoroalkyl iodide family, this compound is characterized by its five fluorine atoms and a single iodine substituent on an eight-carbon chain. Its molecular structure makes it an excellent candidate for use in advanced material synthesis, pharmaceuticals, and specialty chemicals. Researchers and industry professionals often search for terms like "fluorinated compound applications" or "synthesis of pentafluoroalkyl iodides," reflecting the growing interest in this niche yet impactful chemical.

The compound's high thermal stability and chemical inertness are among its most notable features, making it suitable for demanding environments. In the context of sustainability—a hot topic in modern chemistry—1,1,1,2,2-pentafluoro-4-iodooctane is often discussed alongside "green chemistry alternatives" and "eco-friendly fluorinated compounds." While traditional fluorinated chemicals have faced scrutiny due to environmental concerns, derivatives like this are being reevaluated for their potential lower ecological impact when used responsibly. Searches related to "safe handling of fluorinated iodides" or "biodegradability of perfluoroalkyl compounds" highlight user concerns and the need for further research.

From a synthetic perspective, CAS No. 117539-28-3 serves as a valuable intermediate in the production of more complex fluorinated molecules. Its iodine atom provides a reactive site for further functionalization, enabling the creation of tailored materials for industries ranging from electronics to coatings. Queries such as "how to modify pentafluoroalkyl iodides" or "cross-coupling reactions with fluorinated iodides" are common among chemists exploring its potential. Additionally, the compound's role in "liquid crystal formulations" and "high-performance lubricants" has sparked interest in material science circles.

In analytical chemistry, 1,1,1,2,2-pentafluoro-4-iodooctane is occasionally employed as a reference standard or calibration material due to its well-defined structure and purity requirements. Laboratories searching for "fluorinated reference standards" or "GC-MS calibration compounds" may encounter this chemical as part of their workflow. Its predictable behavior under chromatographic conditions makes it a reliable choice for method development and quality control protocols.

The pharmaceutical industry has also shown interest in fluorinated building blocks like CAS No. 117539-28-3, particularly in the development of novel drug candidates. The "role of fluorine in drug design" remains a trending topic, with researchers investigating how fluorination can improve metabolic stability and bioavailability. While this specific compound may not be directly used in final drug products, its structural features contribute to the broader understanding of "fluorine medicinal chemistry"—a subject frequently searched in academic and industrial settings.

As regulatory landscapes evolve, compliance-related searches such as "REACH compliance for fluorinated compounds" or "fluorochemical safety guidelines" have become increasingly relevant. While 1,1,1,2,2-pentafluoro-4-iodooctane is not currently classified as hazardous under major regulatory frameworks, proper handling and disposal procedures remain essential. This aligns with the broader industry shift toward "responsible chemical management" and "sustainable fluorotechnology," which dominate contemporary discussions in specialty chemicals.

Looking ahead, the potential applications of 1,1,1,2,2-pentafluoro-4-iodooctane continue to expand as researchers uncover new methodologies for its incorporation into advanced materials. Emerging search trends like "fluorinated compounds in energy storage" and "next-generation fluoropolymers" suggest promising directions for future development. With its unique combination of fluorine content and reactive iodine functionality, CAS No. 117539-28-3 represents both a tool for current innovation and a stepping stone toward tomorrow's breakthroughs in fluorinated chemistry.

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