Description

2,2,2-Trifluoroethyl 4-methylbenzenesulfonate (CAS No. 433-06-7) is a high-purity sulfonate ester derivative, widely used in organic synthesis and pharmaceutical research. With the molecular formula C₉H₉F₃O₃S, this compound serves as a versatile reagent for introducing the 2,2,2-trifluoroethoxy group into target molecules. Its robust chemical stability and reactivity make it ideal for nucleophilic substitution reactions, fluorination processes, and as a building block in medicinal chemistry.

Our product is rigorously tested to ensure >98% purity (HPLC/GC), and is supplied in sealed, light-resistant containers to maintain integrity. Suitable for use in anhydrous conditions, it is a critical tool for researchers developing fluorinated compounds, agrochemicals, and specialty materials. Store under inert atmosphere at 2-8°C to prolong shelf life.

Properties

• CAS Number: 433-06-7
• Complexity: 310
• IUPAC Name: 2,2,2-trifluoroethyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
• InChI Key: IGKCQDUYZULGBM-UHFFFAOYSA-N
• Exact Mass: 254.02244980
• Molecular Formula: C9H9F3O3S
• Molecular Weight: 254.23
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 254.02244980
• Synonyms: 2,2,2-Trifluoroethyl tosylate, Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate, Ethanol, 2,2,2-trifluoro-, p-toluenesulfonate, 2,2,2-Trifluoroethyl p-toluenesulphonate, Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate), EINECS 207-085-5, NSC 77401, DTXSID90883384, DTXCID901022919, Ethanol, 2,2,2-trifluoro-, p-toluenesulfonate (8CI), 207-085-5, 433-06-7, 2,2,2-Trifluoroethyl p-toluenesulfonate, 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate, Trifluoroethanol tosylate, 2,2,2-trifluoroethyl-p-toluenesulfonate, trifluorethyltosylate, MFCD00000443, 2,2,2-trifluoroethyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic Acid 2,2,2-Trifluoroethyl Ester, NSC-77401, 2,2,2-Trifluoroethyl 4-toluenesulfonate, 2,2,2-trifluoroethyl 4-toluenesulphonate, 2,2,2-trifluoroethyl-4-toluenesulphonate, NSC77401, trifluoroethyl tosylate, CF3CH2OTs, 8EG3GP9XGW, 2,2-Trifluoroethyl tosylate, NCIOpen2_003878, SCHEMBL68796, 2,2,2-Trifluoroethyltosylate, toluene-4-sulfonic acid 2,2,2-trifluoro-ethyl ester, Trifluoroethyl p-toluenesulfonate, 2,2,2-trifluoro-ethyl tosylate, IGKCQDUYZULGBM-UHFFFAOYSA-, trifluoroethyl toluene-4-sulfonate, SBB101391, AKOS003242104, 2,2,2-trifluoroethyl-p-toluensulfonate, 2,2,2-trifluoroethyl-4-toluenesulfonate, 2,2,2-trifluoroethyl4-toluenesulphonate, 2,2,2-trifluoroethyl-p-toluene sulfonate, 2,2,2-trifluoroethyl-p-toluenesulphonate, AC-25712, FT105964, SY020925, 2,2,2-trifluoroethyl-p-toluene-sulphonate, 2,2,2-trifluoroethyl 4-toluenesulphonate-, 2,2,2-trifluoroethyl para-toluenesulfonate, 2,2,2-Trifluoroethyl toluene-4-sulphonate, Ethanol,2,2-trifluoro-, p-toluenesulfonate, 2,2,2-Trifluoroethyl4-methylbenzenesulfonate, CS-0044805, NS00043403, ST45025461, T1516, 2,2,2-Trifluoroethyl p-methylbenzenesulfonate, 2,2,2-trifluoroethyl-4-methylbenzenesulfonate, EN300-30885, 2,2,2-Trifluoroethyl p-toluenesulfonate, 99%, 2,2,2-trifluoroethyl-4-methylbenzenesulphonate, D86905, 2,2,2-Trifluoroethanol 4-methylbenzenesulfonate, 2,2,2-trifluoroethyl (4-methylphenyl)sulfonate, 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate #, 2,2,2-trifluoroethyl-(4-methylphenyl)sulfonate, 12N-747, Ethanol,2,2-trifluoro-, 4-methylbenzenesulfonate, p-toluene sulfonic acid-2,2,2-trifluoroethyl ester, Z45525852, InChI=1/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3

Application

2,2,2-Trifluoroethyl 4-methylbenzenesulfonate is primarily employed as a trifluoroethylating agent in organic synthesis, enabling the incorporation of the -CH₂CF₃ moiety into complex molecules. It is valuable in pharmaceutical research for modifying drug candidates to enhance metabolic stability or lipophilicity. Additionally, this reagent finds use in materials science for synthesizing fluorinated polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): 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 (97.8%)
• Eye Irrit. 2 (97.8%)
• STOT SE 3 (95.7%)

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