Description

Pentafluorophenyl Trifluoroacetate (CAS No. 14533-84-7) is a highly fluorinated organic compound with the molecular formula C₈F₈O₂. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate, and it is widely recognized for its role as a versatile reagent in synthetic chemistry. This compound features a pentafluorophenyl group coupled with a trifluoroacetate ester, making it an excellent electrophile for nucleophilic aromatic substitution reactions and other fluorination processes. With exceptional purity and stability, it is ideal for researchers working in pharmaceuticals, agrochemicals, and advanced materials science. Packaged under inert conditions to ensure longevity and performance, this product is a must-have for high-precision fluorination and derivatization workflows.

Properties

• CAS Number: 14533-84-7
• Complexity: 303
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
• InChI: InChI=1S/C8F8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16
• InChI Key: VCQURUZYYSOUHP-UHFFFAOYSA-N
• Exact Mass: 279.97705454
• Molecular Formula: C8F8O2
• Molecular Weight: 280.07
• SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 279.97705454
• Synonyms: Pentafluorophenyl trifluoroacetate, 14533-84-7, DTXSID60401978, DTXCID40352833, 629-320-4, Perfluorophenyl 2,2,2-trifluoroacetate, Trifluoroacetic acid pentafluorophenyl ester, pentafluorophenyltrifluoroacetate, (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate, MFCD00134438, Acetic acid, 2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl ester, Pentafluorphenyl trifluoracetate, C8F8O2, Acetic acid, trifluoro-, pentafluorophenyl ester, Acetic acid,2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl ester, SCHEMBL40376, pentafluorophenyl trifluoracetate, pentafluorphenyl trifluoroacetate, CS0054, AKOS015852740, CS-W012279, FP01931, Pentafluorophenyl trifluoroacetate, 98%, AS-11367, SY016453, P1894, H10447

Application

Pentafluorophenyl Trifluoroacetate is commonly employed as a fluorinating agent and activating reagent in organic synthesis, particularly in the preparation of pentafluorophenyl derivatives. It serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials due to its high reactivity with nucleophiles. Researchers also utilize it in peptide coupling reactions and as a protecting group in complex molecular architectures. Its strong electron-withdrawing properties make it valuable in catalysis and material science applications.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.5%)

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