Description

3,5-Bis(trifluoromethyl)phenol (CAS No. 349-58-6) is a high-purity fluorinated phenol derivative with the molecular formula C₈H₄F₆O. This compound features two trifluoromethyl groups at the 3 and 5 positions of the phenolic ring, enhancing its electron-withdrawing properties and making it a valuable intermediate in advanced organic synthesis. Ideal for researchers and scientists, our product is rigorously tested to ensure ≥98% purity (GC), with trace moisture and impurities minimized for sensitive applications. Available in sealed glass vials or bulk quantities, it is stored under inert conditions to guarantee stability. Suitable for use in pharmaceuticals, agrochemicals, and material science, this reagent is a critical building block for constructing complex fluorinated architectures.

Properties

• CAS Number: 349-58-6
• Complexity: 198
• IUPAC Name: 3,5-bis(trifluoromethyl)phenol
• InChI: InChI=1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
• InChI Key: ODSXJQYJADZFJX-UHFFFAOYSA-N
• Exact Mass: 230.01663372
• Molecular Formula: C8H4F6O
• Molecular Weight: 230.11
• SMILES: C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F
• Topological: 20.2
• Monoisotopic Mass: 230.01663372
• Synonyms: 3,5-Bis(trifluoromethyl)phenol, 349-58-6, 3,5-di(Trifluoromethyl)phenol, UF8V4P6RSU, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexafluoro-3,5-xylenol, NSC-88299, ODSXJQYJADZFJX-UHFFFAOYSA-, DTXSID60188454, NSC 88299, 3,5-Xylenol, aplha,aplha,aplha,aplha’,aplha’,aplha’-hexafluoro-, DTXCID90110945, inchi=1/c8h4f6o/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15h, odsxjqyjadzfjx-uhfffaoysa-n, Phenol, 3,5-bis(trifluoromethyl)-, MFCD00000386, KG-655, 3,5-ditrifluoromethylphenol, 3,5-bis-trifluoromethylphenol, NSC88299, EINECS 206-488-3, Enamine_005457, AI3-62905, UNII-UF8V4P6RSU, NCIOpen2_005306, SCHEMBL186841, SCHEMBL186842, CHEMBL1797960, SCHEMBL16390881, 3,5-bis(trifluoromethyl)-phenol, 3,5-Bis(trifluoromethyl) phenol, DVVAQAIODFMVNV-UHFFFAOYSA-N, HMS1409I01, CL9254, SBB006599, AKOS001044515, 3,5-Bis(trifluoromethyl)phenol, 95%, CS-W012964, HY-W012248, PS-7725, FB105718, SY020753, B1869, NS00042094, ST45255437, EN300-17180, Z56899043

Application

3,5-Bis(trifluoromethyl)phenol is widely used as a key precursor in pharmaceutical research, particularly in the synthesis of bioactive molecules with enhanced metabolic stability. Its electron-deficient aromatic ring makes it valuable for designing ligands in catalysis and metal-organic frameworks (MOFs). The compound also serves as a versatile intermediate in agrochemical development, contributing to the creation of herbicides and pesticides with improved efficacy. Additionally, it is employed in material science for modifying polymer properties and creating fluorinated coatings.

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 (97.9%): 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 (97.9%)

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