Description

2,3,5,6-Tetrafluorophenol (CAS No. 769-39-1) is a high-purity fluorinated phenolic compound with the molecular formula C₆H₂F₄O. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and material science due to its unique electron-withdrawing properties and stability. The compound features a phenol core substituted with four fluorine atoms at the 2, 3, 5, and 6 positions, enhancing its reactivity in nucleophilic aromatic substitution and cross-coupling reactions. Available in >98% purity (GC), it is supplied as a white to off-white crystalline solid with strict quality control to ensure consistency for sensitive applications. Ideal for researchers developing agrochemicals, liquid crystals, or advanced polymers.

Properties

• CAS Number: 769-39-1
• Complexity: 129
• IUPAC Name: 2,3,5,6-tetrafluorophenol
• InChI: InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
• InChI Key: PBYIIRLNRCVTMQ-UHFFFAOYSA-N
• Exact Mass: 166.00417733
• Molecular Formula: C6H2F4O
• Molecular Weight: 166.07
• SMILES: C1=C(C(=C(C(=C1F)F)O)F)F
• Topological: 20.2
• Monoisotopic Mass: 166.00417733
• Synonyms: 2,3,5,6-Tetrafluorophenol, 769-39-1, Phenol, 2,3,5,6-tetrafluoro-, UNII-TNA118I5TG, TNA118I5TG, CCRIS 5843, EINECS 212-209-6, NSC 88309, NSC-88309, PBYIIRLNRCVTMQ-UHFFFAOYSA-, DTXSID60227695, TETRAFLUOROPHENOL, 2,3,5,6-, 1,2,4,5-TETRAFLUORO-3-HYDROXYBENZENE, DTXCID10150186, 212-209-6, inchi=1/c6h2f4o/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11h, pbyiirlnrcvtmq-uhfffaoysa-n, MFCD00002157, 2,3,5,6-Tetrafluorophenol, 97%, 2,3,5,6-TETRAFLUORO PHENOL, 2,3,5,6tetrafluorophenol, NCIOpen2_001485, SCHEMBL78210, SCHEMBL78211, SCHEMBL717584, 2,3,5, 6-tetrafluorophenol, SCHEMBL2474899, NSC88309, SBB087962, STK510039, AKOS000121601, CS-W017880, AC-24248, BP-20534, BP-23849, FT104764, PS-10195, SY033481, DB-027525, NS00042130, ST51036726, T1030, EN300-16618, T11120, Q27290037, Z56347222

Application

2,3,5,6-Tetrafluorophenol serves as a key building block in pharmaceutical synthesis, particularly for introducing fluorinated aromatic motifs into drug candidates to enhance metabolic stability. It is also employed in agrochemical research to develop novel herbicides and pesticides with improved efficacy. Additionally, its electron-deficient aromatic ring makes it valuable in materials science for designing specialty polymers and liquid crystals with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (83.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (14.3%)
• Acute Tox. 4 (14.3%)
• Skin Corr. 1 (14.3%)
• Skin Irrit. 2 (85.7%)
• Eye Irrit. 2 (85.7%)
• STOT SE 3 (83.7%)

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