Cas no 939771-60-5 (3-Fluoro-5-iodophenol)

3-Fluoro-5-iodophenol is a halogenated phenol derivative featuring both fluorine and iodine substituents on the aromatic ring, offering unique reactivity and selectivity in synthetic applications. The presence of iodine enhances its utility in cross-coupling reactions, such as Suzuki or Sonogashira couplings, while the fluorine substituent contributes to electronic modulation and stability. This compound is particularly valuable in pharmaceutical and agrochemical research as a versatile intermediate for constructing complex molecules. Its distinct substitution pattern allows for regioselective functionalization, making it a preferred choice for fine chemical synthesis. High purity grades ensure consistent performance in demanding applications.
3-Fluoro-5-iodophenol structure
3-Fluoro-5-iodophenol structure
Product Name:3-Fluoro-5-iodophenol
CAS No:939771-60-5
MF:C6H4FIO
MW:237.998237609863
MDL:MFCD16999911
CID:2197236
PubChem ID:66882251
Update Time:2025-08-05

3-Fluoro-5-iodophenol Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-5-iodophenol
    • 3-Fluoro-5-iodophenol (ACI)
    • 3-Fluoro-5-iodo-phenol
    • AS-47397
    • DB-331296
    • MB26711
    • SCHEMBL1029025
    • 939771-60-5
    • CS-0157673
    • EN300-174900
    • OGZQPUORKLLIGI-UHFFFAOYSA-N
    • AKOS024262597
    • MFCD16999911
    • F13580
    • MDL: MFCD16999911
    • Inchi: 1S/C6H4FIO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
    • InChI Key: OGZQPUORKLLIGI-UHFFFAOYSA-N
    • SMILES: FC1C=C(O)C=C(I)C=1

Computed Properties

  • Exact Mass: 237.92909g/mol
  • Monoisotopic Mass: 237.92909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • 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: 2.3
  • Topological Polar Surface Area: 20.2?2

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3-Fluoro-5-iodophenol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  4.5 h, rt → 90 °C; cooled
1.2 Reagents: Sodium nitrite Solvents: Water ;  0 °C; 0 °C → rt
1.3 Reagents: Sulfuric acid Solvents: Water ;  rt → 90 °C; 1 h, 90 °C; overnight, cooled
Reference
Preparation of 8-azabicyclo[3.2.1]octane derivatives useful as mono-amine reuptake inhibitors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Boron tribromide Solvents: Dichloromethane ;  1 h, -78 °C; -78 °C → rt; 12 h, rt
1.2 Solvents: Methanol ;  rt
Reference
Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase
Jorgensen, William L.; Bollini, Mariela; Thakur, Vinay V.; Domaoal, Robert A.; Spasov, Krasimir A.; et al, Journal of the American Chemical Society, 2011, 133(39), 15686-15696

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  4.5 h, rt → 90 °C
1.2 Reagents: Sodium nitrite Solvents: Water ;  0 °C; 0 °C → rt; rt → 90 °C; 1 h, 90 °C; overnight, cooled
Reference
Preparation of 8-azabicyclo[3.2.1]octane derivatives as monoamine neurotransmitter reuptake inhibitors
, United States, , ,

3-Fluoro-5-iodophenol Raw materials

3-Fluoro-5-iodophenol Preparation Products

3-Fluoro-5-iodophenol Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:939771-60-5)3-Fluoro-5-iodophenol
Order Number:A1045934
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:21
Price ($):306.0

Additional information on 3-Fluoro-5-iodophenol

Comprehensive Overview of 3-Fluoro-5-iodophenol (CAS No. 939771-60-5): Properties, Applications, and Industry Trends

3-Fluoro-5-iodophenol (CAS No. 939771-60-5) is a halogenated phenol derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound, characterized by the presence of both fluorine and iodine substituents on the aromatic ring, serves as a versatile intermediate in organic synthesis. Its molecular formula, C6H4FIO, and molecular weight of 238.00 g/mol make it a valuable building block for designing complex molecules.

In recent years, the demand for halogenated phenols like 3-Fluoro-5-iodophenol has surged, driven by their applications in drug discovery and material science. Researchers frequently search for "3-Fluoro-5-iodophenol synthesis" or "CAS 939771-60-5 applications," reflecting its relevance in modern chemistry. The compound's ability to undergo cross-coupling reactions, such as Suzuki or Ullmann couplings, positions it as a critical component in creating biologically active molecules.

One of the most discussed topics in 2024 is the role of fluorinated compounds in medicinal chemistry. 3-Fluoro-5-iodophenol aligns with this trend, as the fluorine atom enhances metabolic stability and bioavailability in drug candidates. Its iodo group further allows for late-stage functionalization, a technique highly sought after in fragment-based drug design. These attributes explain why queries like "fluorophenol derivatives in drug development" are trending in scientific databases.

From an industrial perspective, 939771-60-5 is often utilized in the production of liquid crystal materials and organic electronic components. Its incorporation into polymers improves thermal stability and optoelectronic properties, addressing the growing need for advanced materials in renewable energy technologies. Searches for "iodophenol-based liquid crystals" or "halogenated aromatics for OLEDs" highlight these niche applications.

Environmental and safety considerations are also pivotal in discussions about 3-Fluoro-5-iodophenol. While not classified as hazardous under standard regulations, proper handling protocols are emphasized in literature. The compound's biodegradability and eco-toxicity profile are frequently explored topics, with researchers investigating "green synthesis of halogenated phenols" to align with sustainable chemistry principles.

In summary, 3-Fluoro-5-iodophenol (CAS No. 939771-60-5) bridges multiple scientific disciplines, from pharmaceuticals to advanced materials. Its dual functionality as a fluorine- and iodine-containing scaffold ensures its continued relevance in cutting-edge research. As the industry shifts toward sustainable and efficient synthetic routes, this compound remains a focal point for innovation, answering pressing questions in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:939771-60-5)3-Fluoro-5-iodophenol
A1045934
Purity:99%
Quantity:1g
Price ($):306.0
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