Description

Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate (CAS No. 363-58-6) is a high-purity fluorinated organic compound with the molecular formula C₆H₆ClF₃O₃. This specialty chemical is widely utilized in pharmaceutical and agrochemical research as a key intermediate for synthesizing trifluoromethyl-containing molecules. The compound features a reactive β-keto ester moiety with a chloro substituent at the α-position and a trifluoromethyl group, making it highly valuable for nucleophilic substitution and condensation reactions. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Ideal for use in medicinal chemistry, material science, and fine chemical synthesis.

Properties

• CAS Number: 363-58-6
• Complexity: 214
• IUPAC Name: ethyl 2-chloro-4,4,4-trifluoro-3-oxo-butanoate
• InChI: InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3
• InChI Key: YVWUNJVPOCYLIM-UHFFFAOYSA-N
• Exact Mass: 217.9957562
• Molecular Formula: C6H6ClF3O3
• Molecular Weight: 218.56
• SMILES: CCOC(=O)C(C(=O)C(F)(F)F)Cl
• Topological: 43.4
• Monoisotopic Mass: 217.9957562
• Synonyms: 363-58-6, ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate, DTXSID60371884, DTXCID60322917, 670-525-3, ethyl 2-chloro-4,4,4-trifluoroacetoacetate, Ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate, MFCD00041540, Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester, Ethyl 2-chloro-3-oxo-4,4,4-trifluorobutanoate, SCHEMBL290478, ethyl chlorotrifluoroacetoacetate, 2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester, SBB032986, AKOS000311314, SY061817, ethyl 4,4,4-trifluoro-2-chloroacetoacetate, ethyl-2-chloro-4,4,4-trifluoroacetoacetate, CS-0121293, ST51040032, EN300-73576, ethyl2-chloro-4,4,4-trifluoro-3-oxobutanoate, ethyl 2-chloro-4,4,4-trifluoro-3-oxobuta-noate, ethyl alpha-chloro-gamma,gamma,gamma-trifluoroacetoacetate, Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate, AldrichCPR

Application

Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate serves as a versatile building block for introducing trifluoromethyl groups into target molecules. It is particularly useful in the synthesis of fluorinated heterocycles and bioactive compounds. Researchers employ this compound in palladium-catalyzed cross-coupling reactions and as a precursor for fluorinated analogs of natural products. Its reactivity enables applications in developing pharmaceuticals with enhanced metabolic stability.

Safety and Hazards

GHS Hazard Statements

• H227 (25%): Combustible liquid [Warning Flammable liquids]
• H314 (87.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (25%)
• Skin Corr. 1 (87.5%)
• Skin Irrit. 2 (12.5%)
• Eye Dam. 1 (12.5%)
• Eye Irrit. 2 (12.5%)
• STOT SE 3 (37.5%)

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