Description

Ethyl 2-chloro-2-fluoroacetate (CAS No. 401-56-9) is a high-purity fluorinated ester compound with the molecular formula C₄H₆ClFO₂. This specialty chemical is widely utilized in pharmaceutical synthesis, agrochemical production, and advanced material research due to its reactive chloro- and fluoro-functional groups. The compound presents as a clear, colorless to pale yellow liquid with a characteristic ester-like odor, and is packaged under inert gas to ensure stability. With a molecular weight of 140.54 g/mol, it offers excellent solubility in common organic solvents while exhibiting moderate volatility. Our product undergoes rigorous QC testing including GC-MS and NMR analysis to guarantee >98% purity, making it ideal for precision applications. Available in research (5g, 25g) and bulk (1kg, 5kg) quantities with customizable packaging options.

Properties

• CAS Number: 401-56-9
• Complexity: 86.1
• IUPAC Name: ethyl 2-chloro-2-fluoro-acetate
• InChI: InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
• InChI Key: WUHVJSONZHSDFC-UHFFFAOYSA-N
• Exact Mass: 140.0040353
• Molecular Formula: C4H6ClFO2
• Molecular Weight: 140.54
• SMILES: CCOC(=O)C(F)Cl
• Topological: 26.3
• Monoisotopic Mass: 140.0040353
• Synonyms: Ethyl chlorofluoroacetate, 401-56-9, Acetic acid, chlorofluoro-, ethyl ester, Acetic acid, 2-chloro-2-fluoro-, ethyl ester, EINECS 206-930-5, AI3-51573, DTXSID20870525, DTXCID40818242, 206-930-5, ethyl 2-chloro-2-fluoroacetate, EthylChlorofluoroacetate, Chlorofluoroacetic Acid Ethyl Ester, ethyl chloro(fluoro)acetate, ethyl fluorochloroacetate, MFCD00039333, SCHEMBL103131, Ethyl chlorofluoroacetate, 98%, WUHVJSONZHSDFC-UHFFFAOYSA-, BCP26409, AKOS005255093, FS-4126, DB-011555, NS00043226, A15558, EN300-118681, InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Application

Ethyl 2-chloro-2-fluoroacetate serves as a versatile building block in organofluorine chemistry, particularly for introducing fluorine-containing moieties into target molecules. Researchers employ this compound in nucleophilic substitution reactions to create fluorinated analogs of biologically active compounds. The material finds specific utility in medicinal chemistry for developing PET radiotracer precursors and pharmaceutical intermediates. Its dual functionality (chloro/fluoro) enables selective transformations under controlled conditions, making it valuable for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (13.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (13.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (13.3%)
• Acute Tox. 4 (13.3%)
• Skin Corr. 1B (100%)
• Acute Tox. 4 (13.3%)

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