Description

2,2′-(5-Hydroxy-1,3-phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol) (CAS No. 669768-28-9) is a highly fluorinated phenolic compound with the molecular formula C₁₂H₆F₁₂O₃. This specialty chemical features a central phenol ring substituted with two hexafluoro-2-hydroxypropan-2-yl groups, offering unique electronic and steric properties due to the presence of multiple fluorine atoms. The compound is characterized by its high thermal stability, chemical resistance, and potential for hydrogen bonding, making it valuable for advanced material synthesis and pharmaceutical research. Available in high purity grades, this product is ideal for researchers exploring fluorinated building blocks, polymer modifiers, or ligands in catalysis. Proper handling under inert atmosphere is recommended due to the reactivity of the hydroxyl groups.

Properties

• CAS Number: 669768-28-9
• Complexity: 458
• IUPAC Name: 3,5-bis[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenol
• InChI: InChI=1S/C12H6F12O3/c13-9(14,15)7(26,10(16,17)18)4-1-5(3-6(25)2-4)8(27,11(19,20)21)12(22,23)24/h1-3,25-27H
• InChI Key: OPNKNLFNZJATJC-UHFFFAOYSA-N
• Exact Mass: 426.0125320
• Molecular Formula: C12H6F12O3
• Molecular Weight: 426.15
• SMILES: C1=C(C=C(C=C1C(C(F)(F)F)(C(F)(F)F)O)O)C(C(F)(F)F)(C(F)(F)F)O
• Topological: 60.7
• Monoisotopic Mass: 426.0125320
• Synonyms: 2,2′-(5-Hydroxy-1,3-phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol), 669768-28-9, 3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, SCHEMBL10212933, OPNKNLFNZJATJC-UHFFFAOYSA-N

Application

This fluorinated phenolic compound serves as a versatile intermediate in the synthesis of advanced materials with enhanced thermal and chemical resistance. Researchers utilize it as a building block for fluorinated polymers, coatings, and adhesives where low surface energy and high stability are required. Its unique structure also makes it a candidate for developing novel catalysts or ligands in asymmetric synthesis. Additionally, the compound finds use in pharmaceutical research as a potential scaffold for drug discovery due to its ability to modulate solubility and bioavailability.

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