Description

4-Bromo-2,3,5,6-tetrafluorophenol (CAS No. 1998-61-4) is a highly specialized fluorinated phenolic compound with the molecular formula C₆HBrF₄O. This organobromine derivative features a tetrafluorinated aromatic ring, making it a valuable intermediate in advanced synthetic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and liquid crystal materials. Its unique structure, combining bromine and fluorine substituents, enhances reactivity in nucleophilic substitution and cross-coupling reactions. The compound is supplied as a high-purity solid (>98%) with strict quality control to ensure consistency in research and industrial applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 1998-61-4
• Complexity: 154
• IUPAC Name: 4-bromo-2,3,5,6-tetrafluoro-phenol
• InChI: InChI=1S/C6HBrF4O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
• InChI Key: ZBYSEVWUBQSGKC-UHFFFAOYSA-N
• Exact Mass: 243.91469
• Molecular Formula: C6HBrF4O
• Molecular Weight: 244.97
• SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)O
• Topological: 20.2
• Monoisotopic Mass: 243.91469
• Synonyms: 1998-61-4, 4-bromo-2,3,5,6-tetrafluorophenol, DTXSID10382586, DTXCID30333611, 674-536-4, 4-Bromotetrafluorophenol, Phenol, 4-bromo-2,3,5,6-tetrafluoro-, MFCD06246024, C6HBrF4O, SCHEMBL14615942, ZBYSEVWUBQSGKC-UHFFFAOYSA-N, SBB099931, AKOS007929973, SY062946

Application

4-Bromo-2,3,5,6-tetrafluorophenol is widely used as a key building block in the synthesis of complex fluorinated organic molecules. It serves as a precursor in pharmaceutical research for developing bioactive compounds with enhanced metabolic stability. The compound is also employed in materials science for creating fluorinated polymers and liquid crystals with unique electronic properties. Its reactivity makes it suitable for palladium-catalyzed cross-coupling reactions in fine chemical production.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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