Description

3-(Trifluoromethoxy)phenol (CAS No. 827-99-6) is a high-purity fluorinated phenolic compound with the molecular formula C₇H₅F₃O₂. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique trifluoromethoxy substituent, which enhances lipophilicity and metabolic stability. Our product is rigorously tested for purity (typically ≥98% by GC/HPLC) and is available in various packaging options to suit laboratory and industrial-scale applications. The compound is supplied as a clear to pale-yellow liquid or crystalline solid, stored under inert conditions to ensure stability. Technical data sheets, including NMR, MS, and FTIR spectra, are provided for quality verification. Ideal for use as a building block in organic synthesis, catalyst development, or as a precursor for advanced materials.

Properties

• CAS Number: 827-99-6
• Complexity: 146
• IUPAC Name: 3-(trifluoromethoxy)phenol
• InChI: InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
• InChI Key: UWLJERQTLRORJN-UHFFFAOYSA-N
• Exact Mass: 178.02416388
• Molecular Formula: C7H5F3O2
• Molecular Weight: 178.11
• SMILES: C1=CC(=CC(=C1)OC(F)(F)F)O
• Topological: 29.5
• Monoisotopic Mass: 178.02416388
• Synonyms: 3-(Trifluoromethoxy)phenol, 827-99-6, DTXSID90369815, DTXCID00320851, 624-668-3, 3-(trifluoromethoxy) phenol, 3-trifluoromethoxyphenol, MFCD00040987, 3-(Tifluoromethoxy)phenol, m-(trifluoromethoxy)phenol, 3-Hydroxyphenyl Trifluoromethyl Ether, Phenol, 3-(trifluoromethoxy)-, 3-Trifluoromethoxy-phenol, m-trifluoromethoxyphenol, m-trifluoromethoxy phenol, 3-trifluoromethoxy phenol, SCHEMBL224912, 3-[(trifluoromethyl)oxy]phenol, SCHEMBL1045886, SCHEMBL3076523, SCHEMBL16961861, SCHEMBL22683446, SCHEMBL28943837, BBL100826, SBB089364, STL554620, AKOS005145713, CS-W007985, FT28463, PS-8562, AC-13598, BP-10494, SY017829, DB-024256, ST50405265, T1615, EN300-104425, F0001-2121, m-(Trifluoromethoxy)phenol;3-[(Trifluoromethyl)oxy]phenol

3-(Trifluoromethoxy)phenol serves as a key intermediate in the synthesis of bioactive molecules, particularly in drug discovery for CNS-targeting compounds. Its trifluoromethoxy group is leveraged to modulate pharmacokinetic properties in agrochemicals like pesticides and herbicides. Researchers also employ it in polymer chemistry to introduce fluorine-containing moieties for enhanced material performance.

Safety and Hazards

GHS Hazard Statements

• H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (87.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (87.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (87.8%)
• Acute Tox. 4 (87.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (87.8%)
• STOT SE 3 (98%)

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