Description

Ammonium Trifluoroacetate (CAS: 3336-58-1) is a high-purity chemical compound with the molecular formula C₂H₄F₃NO₂ and IUPAC name azanium;2,2,2-trifluoroacetate. This white crystalline powder is widely utilized in organic synthesis, pharmaceuticals, and materials science due to its trifluoroacetate anion, which enhances reactivity and solubility in various reactions. It is highly soluble in water and polar organic solvents, making it ideal for use as a buffering agent, catalyst, or intermediate in chemical processes. Packaged under controlled conditions to ensure stability and purity, this reagent is suitable for laboratory and industrial applications requiring precise and reliable performance.

Properties

• CAS Number: 3336-58-1
• Complexity: 77.9
• IUPAC Name: ammonium;2,2,2-trifluoroacetate
• InChI: InChI=1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3
• InChI Key: YCNIBOIOWCTRCL-UHFFFAOYSA-N
• Exact Mass: 131.01941286
• Molecular Formula: C2H4F3NO2
• Molecular Weight: 131.05
• SMILES: C(=O)(C(F)(F)F)[O-].[NH4+]
• Topological: 41.1
• Monoisotopic Mass: 131.01941286
• Physical Description: White crystals, soluble in water;
• Synonyms: Ammonium trifluoroacetate, 3336-58-1, EINECS 222-072-4, NSC 148335, Acetic acid, trifluoro, ammonium salt (8CI), Acetic acid, trifluoro-, ammonium salt (8CI), Acetic acid, trifluoro, ammonium salt (8CI)(9CI), Acetic acid, trifluoro-, ammonium salt (8CI)(9CI), 222-072-4, ammoniumtrifluoroacetate, MFCD00012615, Acetic acid, trifluoro-, ammonium salt, ammonium trifluroacetate, ammonium triflouroacetate, CF3COONH4, Ammonium 2,2,2-Trifluoroacetate, DTXSID10954989, Trifluoroacetic acid, ammonium salt, SBB085779, AKOS025295167, FA77977, 2,2,2-trifluoroacetic acid, azamethane, SY317445, NS00083491

Application

Ammonium Trifluoroacetate is commonly employed as a reagent in organic synthesis, particularly in peptide coupling and fluorination reactions. It serves as a buffering agent in biochemical assays and chromatography due to its stable trifluoroacetate group. Additionally, it is used in the preparation of pharmaceuticals and agrochemicals where its solubility and reactivity are advantageous.

Safety and Hazards

GHS Hazard Statements

• H300 (74.5%): Fatal if swallowed [Danger Acute toxicity, oral]
• H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (25.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (25.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (69.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 2 (74.5%)
• Skin Irrit. 2 (25.5%)
• Eye Irrit. 2 (25.5%)
• STOT SE 3 (25.5%)
• Aquatic Acute 1 (69.1%)

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