Description

Ethyl 2,2-dibromo-2-fluoroacetate (CAS No. 565-53-7) is a highly specialized halogenated ester with the molecular formula C₄H₅Br₂FO₂. This compound is characterized by its dibromo- and fluoro-substituted acetate structure, making it a valuable intermediate in synthetic organic chemistry. With a purity grade suitable for research and industrial applications, it is supplied in rigorously tested batches to ensure consistency and performance. Ideal for use in nucleophilic substitution reactions, fluorination processes, and as a building block for pharmaceuticals and agrochemicals. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 565-53-7
• Complexity: 115
• IUPAC Name: ethyl 2,2-dibromo-2-fluoro-acetate
• InChI: InChI=1S/C4H5Br2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
• InChI Key: COYRDMUQLSIAEX-UHFFFAOYSA-N
• Exact Mass: 263.86198
• Molecular Formula: C4H5Br2FO2
• Molecular Weight: 263.89
• SMILES: CCOC(=O)C(F)(Br)Br
• Topological: 26.3
• Monoisotopic Mass: 261.86403
• Synonyms: ethyl 2,2-dibromo-2-fluoroacetate, 641-330-0, Ethyl Dibromofluoroacetate, 565-53-7, Acetic acid, dibromofluoro-, ethyl ester, Dibromofluoroacetic Acid Ethyl Ester, C4H5Br2FO2, ethyl 2,2-dibromo-2-fluoro-acetate, MFCD00042068, SCHEMBL1086891, DTXSID40371887, ethyl 2,2-dibromo-2-fluoracetate, SBB102730, AKOS015833843, AT21588, FS-4406, DB-052934, D2530, EN300-7618523

Application

Ethyl 2,2-dibromo-2-fluoroacetate is widely utilized as a key reagent in the synthesis of fluorinated organic compounds. It serves as a versatile electrophile in nucleophilic substitution reactions, enabling the introduction of fluorine and bromine groups into target molecules. Researchers employ this compound in the development of pharmaceutical intermediates and agrochemicals due to its unique reactivity. Its applications also extend to materials science, where it is used to modify polymer properties.

Safety and Hazards

GHS Hazard Statements

• H301 (37.5%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (37.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H330 (12.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (37.5%)
• Acute Tox. 4 (62.5%)
• Acute Tox. 3 (37.5%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (12.5%)
• Acute Tox. 2 (12.5%)
• STOT SE 3 (12.5%)

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