Description

1,1,1,2,2-Pentafluoro-4-iodobutane (CAS No. 40723-80-6) is a highly specialized fluorinated organic compound with the molecular formula C₄H₄F₅I. This halogenated derivative features a unique combination of pentafluorinated and iodo-functional groups, making it a valuable intermediate in synthetic organic chemistry and materials science. The compound is characterized by its high purity (>98%) and stability under standard laboratory conditions, ensuring reliable performance in demanding applications. Its distinct molecular structure offers exceptional reactivity for nucleophilic substitutions, cross-coupling reactions, and as a building block for advanced fluorinated materials. Packaged in amber glass bottles under inert atmosphere to prevent degradation, this product is ideal for researchers working in pharmaceuticals, agrochemicals, and specialty polymer development.

Key Specifications:

• CAS Number: 40723-80-6
• Molecular Weight: 273.97 g/mol
• Appearance: Colorless to pale yellow liquid
• Density: ~1.9 g/cm³ (estimated)
• Storage: 2-8°C under inert gas
• Hazard Class: 8 (Corrosive)

Properties

• CAS Number: 40723-80-6
• Complexity: 107
• IUPAC Name: 1,1,1,2,2-pentafluoro-4-iodo-butane
• InChI: InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
• InChI Key: PPXVPFPTMXFUDE-UHFFFAOYSA-N
• Exact Mass: 273.92779
• Molecular Formula: C4H4F5I
• Molecular Weight: 273.97
• SMILES: C(CI)C(C(F)(F)F)(F)F
• Monoisotopic Mass: 273.92779
• Synonyms: 1,1,1,2,2-Pentafluoro-4-iodobutane, 40723-80-6, 4-iodo-1,1,1,2,2-pentafluorobutane, Butane, 1,1,1,2,2-pentafluoro-4-iodo-, 3,3,4,4,4-pentafluoro-1-iodobutane, 2:2 Fluorotelomer iodide, PR0N2JQF4X, 1-iodo-3,3,4,4,4-pentafluorobutane, 1,1,2,2-Tetrahydroperfluorobutyl iodide, 2-Perfluoroethyl Ethyl Iodide, C4H4F5I, EINECS 255-055-5, MFCD00155910, 3,3,4,4,4-Pentafluorobutyl Iodide, perfluoroethylethyl iodide, UNII-PR0N2JQF4X, CF3CF2CH2CH2I, SCHEMBL323063, DTXSID8068250, C4 Gamma-Omega Perfluoro Iodine, 3,3,4,4,4-Pentafluorobutyliodide, 1H,1H,2H,2H-Perfluorobutyl iodide, AKOS005259728, 1-iodo-3,3,4,4,4-pentafluoro butane, BS-22652, 1,1,1,2,2-Pentafluoro-4-iodobutane #, DB-049639, CS-0147248, NS00019059, P1817, D92160, 1,1,1,2,2-Pentafluoro-4-iodobutane, >=99.0% (GC), 85995-91-1

Application

1,1,1,2,2-Pentafluoro-4-iodobutane serves as a critical fluorinated synthon in pharmaceutical research, particularly for introducing pentafluoroalkyl groups into bioactive molecules. Its applications extend to materials science where it functions as a precursor for specialty fluoropolymers with enhanced chemical resistance. The compound’s reactivity makes it valuable in Pd-catalyzed cross-coupling reactions for creating complex organic frameworks. Researchers also utilize it in the development of liquid crystals and dielectric materials due to its unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (95.3%)
• Eye Irrit. 2 (97.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.