Description

Trifluoroacetic trifluoroacetohydroxamic anhydride (CAS: 684-78-6) is a highly specialized fluorinated organic compound with the molecular formula C₄HF₆NO₃. This reagent is characterized by its unique structure, combining trifluoroacetyl and hydroxamic anhydride functionalities, making it a valuable intermediate in advanced synthetic chemistry applications. With an IUPAC name of [(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate, it is widely recognized for its reactivity and utility in fluorination reactions and as a precursor for bioactive molecules. The compound is supplied as a high-purity reagent, ensuring consistency for research and industrial processes. Proper handling under inert conditions is recommended due to its sensitivity to moisture and potential reactivity.

Properties

• CAS Number: 684-78-6
• Complexity: 242
• IUPAC Name: [(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate
• InChI: InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)
• InChI Key: CYSAMXITKBXZOP-UHFFFAOYSA-N
• Exact Mass: 224.98606187
• Molecular Formula: C4HF6NO3
• Molecular Weight: 225.05
• SMILES: C(=O)(C(F)(F)F)NOC(=O)C(F)(F)F
• Topological: 55.4
• Monoisotopic Mass: 224.98606187
• Synonyms: Trifluoroacetic trifluoroacetohydroxamic anhydride, Acetic acid, 2,2,2-trifluoro-, (2,2,2-trifluoroacetyl)azanyl ester, 211-677-9, N,O-Bis(trifluoroacetyl)hydroxylamine, 684-78-6, 2,2,2-Trifluoro-N-(2,2,2-trifluoroacetoxy)acetamide, [(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate, MFCD00013565, 2,2,2-TRIFLUOROACETAMIDO 2,2,2-TRIFLUOROACETATE, Acetamide, 2,2,2-trifluoro-N-((trifluoroacetyl)oxy)-, Acetamide, 2,2,2-trifluoro-N-[(trifluoroacetyl)oxy]-, o,n-bis(trifluoroacetyl)hydroxylamine, EINECS 211-677-9, SCHEMBL1507929, DTXSID9060990, O,N-bistrifluoroacetyl hydroxylamine, BBL101793, O,N-bistrifluoroacetyl hydroxyl amine, SBB096772, STL555590, N,O- bis(trifluoroacetyl)hydroxyamine, AKOS008901148, N,O-bis (trifluoroacetyl)hydroxylamine, MS-20288, O,N-bis-(trifluoroa-cetyl)-hydroxylamine, DB-055154, B1127, CS-0313922, NS00041991, T71224, 2,2,2-trifluor-n-((trifluoracetyl)oxy)acetamide, 2,2,2-trifluoro-N-[(trifluoroacetyl)oxy]acetamide, (2,2,2-trifluoroacetylamino) 2,2,2-trifluoroacetate, 2,2,2-trifluoro-N-(2,2,2-trifluoroacetoxyl)acetamide

Application

Trifluoroacetic trifluoroacetohydroxamic anhydride is primarily used as a fluorinating agent and intermediate in the synthesis of pharmaceuticals and agrochemicals. Its reactivity makes it suitable for introducing trifluoroacetyl groups into target molecules, enhancing their metabolic stability. Researchers also employ it in the preparation of hydroxamic acid derivatives for medicinal chemistry studies. Additionally, it serves as a key reagent in the development of advanced materials with tailored fluorinated properties.

Safety and Hazards

GHS Hazard Statements

• H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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