Description

4-Nitrophenyl trifluoromethanesulfonate (CAS No. 17763-80-3) is a high-purity, synthetic organic compound with the molecular formula C₇H₄F₃NO₅S. This chemical reagent is widely recognized for its role as an effective triflylating agent in organic synthesis, particularly in the introduction of the trifluoromethanesulfonyl (triflyl) group. Its IUPAC name, (4-nitrophenyl) trifluoromethanesulfonate, reflects its structural composition, featuring a nitro-substituted phenyl ring and a reactive trifluoromethanesulfonate ester moiety.

Our product is rigorously tested for quality, ensuring optimal performance in demanding laboratory and industrial applications. It is supplied as a crystalline solid with high stability under recommended storage conditions (typically stored at 2-8°C in a dry, inert atmosphere). Ideal for researchers in pharmaceuticals, agrochemicals, and materials science, this compound is a valuable tool for nucleophilic substitution reactions, cross-coupling reactions, and the synthesis of complex organic molecules.

Properties

• CAS Number: 17763-80-3
• Complexity: 374
• IUPAC Name: (4-nitrophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H4F3NO5S/c8-7(9,10)17(14,15)16-6-3-1-5(2-4-6)11(12)13/h1-4H
• InChI Key: NDTIXHNCNLKURN-UHFFFAOYSA-N
• Exact Mass: 270.97622789
• Molecular Formula: C7H4F3NO5S
• Molecular Weight: 271.17
• SMILES: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
• Topological: 97.6
• Monoisotopic Mass: 270.97622789
• Synonyms: 4-Nitrophenyl trifluoromethanesulfonate, 17763-80-3, DTXSID60338553, DTXCID20289638, 627-475-2, ndtixhncnlkurn-uhfffaoysa-n, (4-nitrophenyl) trifluoromethanesulfonate, MFCD00192354, Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitrophenyl ester, trifluoromethanesulfonic acid 4-nitrophenyl ester, C7H4F3NO5S, 4-nitrophenyltrifluoromethanesulfonate, 4-Nitrophenyltriflate, 4-Nitrophenyl trifluoromethanesulphonate, 4-Nitrophenyl triflate, SCHEMBL37687, CS-M2922, BBL100134, STL511371, AKOS003672484, 4-nitrophenyl (trifluoromethyl)sulfonate, CS-14838, SY073657, 4-Nitrophenyl trifluoromethanesulfonate, 99%, N0993, ST51031614, 4-(trifluoromethylsulfonyloxy)-1-nitrobenzene, C12803, trifluoromethanesulfonic acid 4-nitrophenylester, trifluoromethanesulfonic acid4-nitrophenyl ester, trifluoro-methanesulfonic acid (4-nitrophenyl) ester

Application

4-Nitrophenyl trifluoromethanesulfonate is primarily used as a triflylating agent in organic synthesis, enabling the introduction of the highly electron-withdrawing triflyl group into target molecules. It is particularly useful in the preparation of aryl triflates, which serve as intermediates in palladium-catalyzed cross-coupling reactions such as Suzuki, Heck, and Stille couplings. Additionally, this reagent finds application in the synthesis of pharmaceuticals and specialty chemicals where the triflyl group enhances reactivity or stability.

Safety and Hazards

GHS Hazard Statements

• H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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