Description

Ethyl Bromofluoroacetate (CAS: 401-55-8) is a highly specialized organic compound with the molecular formula C₄H₆BrFO₂. This ester derivative of bromofluoroacetic acid is a clear to pale yellow liquid, widely utilized in advanced synthetic organic chemistry and pharmaceutical research. Its unique structure, featuring both bromo and fluoro substituents on the acetate backbone, makes it a versatile building block for nucleophilic substitution reactions, fluorination processes, and the synthesis of bioactive molecules.

With a purity of 97%, our Ethyl Bromofluoroacetate is rigorously tested to meet the stringent requirements of research and industrial applications. It is packaged under inert conditions to ensure stability and longevity. Suitable for use in peptide synthesis, agrochemical development, and medicinal chemistry, this reagent is an essential tool for scientists working on fluorinated compounds and halogenated intermediates.

Key identifiers include: MFCD00042095, EINECS 206-928-4, and DTXSID50905152. Store in a cool, dry place away from light and moisture to maintain optimal performance.

Properties

• CAS Number: 401-55-8
• Complexity: 86.1
• IUPAC Name: ethyl 2-bromo-2-fluoro-acetate
• InChI: InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
• InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N
• Exact Mass: 183.95352
• Molecular Formula: C4H6BrFO2
• Molecular Weight: 184.99
• SMILES: CCOC(=O)C(F)Br
• Topological: 26.3
• Monoisotopic Mass: 183.95352
• Synonyms: Ethyl bromofluoroacetate, 401-55-8, ethyl 2-bromo-2-fluoroacetate, ethylbromofluoroacetate, Bromofluoroacetic Acid Ethyl Ester, ethyl bromo(fluoro)acetate, 10-35-5, ethyl-2-bromofluoroacetate, C4H6BrFO2, ethyl fluorobromoacetate, acetic acid, bromofluoro-, ethyl ester, EINECS 206-928-4, MFCD00042095, SCHEMBL531947, Ethyl bromofluoroacetate, 97%, DTXSID50905152, bromo-fluoro-acetic acid ethyl ester, SBB070746, AKOS005259059, FE53788, AS-15675, B1673, NS00043688, EN300-85155, F0001-1128

Ethyl Bromofluoroacetate is primarily used as a fluorinated building block in organic synthesis, enabling the introduction of both fluorine and bromine atoms into target molecules. It is valuable in pharmaceutical research for creating analogs with enhanced metabolic stability. Additionally, it serves as a key intermediate in agrochemical development, particularly in the design of herbicides and pesticides. Its reactivity makes it suitable for peptide modification and cross-coupling reactions in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (12.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (85.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (14.3%)
• Acute Tox. 4 (85.7%)
• Acute Tox. 3 (12.2%)
• Acute Tox. 4 (85.7%)
• Skin Irrit. 2 (95.9%)
• Eye Irrit. 2 (87.8%)
• Acute Tox. 4 (85.7%)
• STOT SE 3 (93.9%)

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