NINGBO INNO PHARMCHEM CO.,LTD. is dedicated to providing in-depth information on high-quality chemical compounds. This article focuses on 1H,1H,13H-Perfluorotridecan-1-ol, a compound with CAS number 423-72-3, detailing its fundamental chemical identity and physical properties that underpin its utility.

The systematic nomenclature for this perfluorinated alcohol is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol. Its molecular formula, C₁₃H₄F₂₄O, precisely defines its composition, indicating a thirteen-carbon chain heavily substituted with fluorine atoms, terminating in a hydroxyl (-OH) group. With a molecular weight of approximately 632.13 g/mol, this compound exhibits characteristics typical of long-chain fluorinated alcohols. The presence of twenty-four fluorine atoms significantly influences its behavior, imparting properties such as low surface energy, high thermal stability, and resistance to chemical degradation.

Structurally, 1H,1H,13H-Perfluorotridecan-1-ol differs from its hydrocarbon counterparts. Research indicates that perfluoroalkanes, including the chain in this compound, preferentially adopt helical conformations rather than the extended zigzag structures common in hydrocarbons. This helical arrangement is attributed to the strong dipole moments of the carbon-fluorine bonds and specific intramolecular interactions. Computational studies have confirmed that these helical structures represent the lowest energy states for such molecules, influencing their three-dimensional form and how they interact with their environment. The terminal hydroxyl group adds another layer of complexity, potentially engaging in hydrogen bonding that further refines its conformational landscape.

Spectroscopic characterization is vital for confirming the identity and purity of 1H,1H,13H-Perfluorotridecan-1-ol. Nuclear Magnetic Resonance (NMR) spectroscopy, particularly fluorine-19 NMR (¹⁹F NMR), is exceptionally useful due to the high sensitivity of fluorine nuclei and the wide chemical shift range, allowing detailed mapping of the fluorination pattern. Proton NMR (¹H NMR) signals for the terminal methylene and hydroxyl groups provide further confirmation. Mass spectrometry (MS) techniques, such as GC-MS or LC-MS/MS, are employed to determine the molecular weight and fragmentation patterns, confirming the molecular formula C₁₃H₄F₂₄O and CAS number 423-72-3. These analytical methods are crucial for quality control and ensuring the integrity of the compound for its intended pharmaceutical chemical applications.

Understanding the physicochemical properties of 1H,1H,13H-Perfluorotridecan-1-ol is essential for its effective utilization. While typically presenting as a solid, its specific melting point and solubility characteristics are critical for formulation development. Its insolubility in water but solubility in organic solvents is a direct consequence of its highly fluorinated nature. These properties are fundamental to its use as a surfactant in various formulations and as a component in specialty coatings where low surface energy is a desired trait.

While the unique properties of this compound offer significant advantages, it's crucial to acknowledge its toxicological profile. As a PFAS, it requires careful handling due to potential health risks. NINGBO INNO PHARMCHEM CO.,LTD. prioritizes providing researchers with accurate data, enabling informed decisions regarding the safe and effective use of chemicals like CAS 423-72-3.