Description

4-(Trifluoromethylsulfanyl)phenol (CAS No. 461-84-7) is a high-purity organosulfur compound with the molecular formula C₇H₅F₃OS, widely used in pharmaceutical, agrochemical, and material science research. This compound features a phenol group substituted with a trifluoromethylsulfanyl moiety, offering unique reactivity for electrophilic aromatic substitution and nucleophilic reactions. With a purity of ≥98%, it is ideal for synthesizing fluorinated intermediates, bioactive molecules, and specialty chemicals. Packaged under inert conditions to ensure stability, this reagent is suitable for advanced organic synthesis, catalysis studies, and as a building block for functional materials. Available in various quantities with detailed analytical certifications (GC/MS, NMR, HPLC).

Properties

• CAS Number: 461-84-7
• Complexity: 140
• IUPAC Name: 4-(trifluoromethylsulfanyl)phenol
• InChI: InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
• InChI Key: YYCPTWHVKSATQK-UHFFFAOYSA-N
• Exact Mass: 194.00132044
• Molecular Formula: C7H5F3OS
• Molecular Weight: 194.18
• SMILES: C1=CC(=CC=C1O)SC(F)(F)F
• Topological: 45.5
• Monoisotopic Mass: 194.00132044
• Synonyms: 4-(trifluoromethylsulfanyl)phenol, 620-583-0, 4-(Trifluoromethylthio)phenol, 461-84-7, 4-((Trifluoromethyl)thio)phenol, 4-[(trifluoromethyl)sulfanyl]phenol, MFCD00036035, 4-[(trifluoromethyl)thio]phenol, 4-trifluoromethylsulfanyl-phenol, Phenol, 4-[(trifluoromethyl)thio]-, p-(trifluoromethylthio)phenol, 4-[(Trifluoromethyl)thio]phenol (ACI); Phenol, p-[(trifluoromethyl)thio]- (7CI, 8CI); 4-Trifluoromethylmercaptophenol; 4-Trifluoromethylsulfanylphenol; p-[(Trifluoromethyl)thio]phenol, SCHEMBL518851, SCHEMBL518852, DTXSID90396803, RHIOLCKHFWALJP-UHFFFAOYSA-N, 4-(Trifluoromethylthio)phenol, 98%, SBB091706, AKOS006220472, CS-W015747, PS-8293, SY014358, ST50825356, T2458, EN300-203034, F20392, A826999, Z276151196

4-(Trifluoromethylsulfanyl)phenol is primarily employed as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its electron-withdrawing properties. It serves as a precursor for sulfonyl-containing compounds in medicinal chemistry and ligand design. Researchers also utilize it in material science to modify polymer surfaces or create fluorinated coatings with enhanced chemical resistance. Its stability under acidic conditions makes it valuable for catalysis and cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (91.1%): 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 (98.2%)
• Eye Irrit. 2 (98.2%)
• STOT SE 3 (91.1%)

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