Description

Ethyl 3-bromo-2,2-difluoropropanoate (CAS No. 111773-24-1) is a high-purity fluorinated organic compound with the molecular formula C₅H₇BrF₂O₂. This versatile ester is widely used in pharmaceutical and agrochemical research as a key intermediate for synthesizing complex fluorinated molecules. With a purity of ≥95.0%, it offers exceptional reactivity for nucleophilic substitution and coupling reactions. Its unique difluorinated structure enhances metabolic stability in bioactive compounds, making it invaluable for drug discovery. Packaged under inert conditions to ensure stability, this product is ideal for precision applications in medicinal chemistry and material science.

Properties

• CAS Number: 111773-24-1
• Complexity: 127
• IUPAC Name: ethyl 3-bromo-2,2-difluoro-propanoate
• InChI: InChI=1S/C5H7BrF2O2/c1-2-10-4(9)5(7,8)3-6/h2-3H2,1H3
• InChI Key: PLIFTLNQZPFIPS-UHFFFAOYSA-N
• Exact Mass: 215.95975
• Molecular Formula: C5H7BrF2O2
• Molecular Weight: 217.01
• SMILES: CCOC(=O)C(CBr)(F)F
• Topological: 26.3
• Monoisotopic Mass: 215.95975
• Synonyms: Ethyl 3-bromo-2,2-difluoropropanoate, 111773-24-1, DTXSID00553905, DTXCID90504688, 632-622-9, Ethyl 3-bromo-2,2-difluoropropionate, Ethyl 3-bromo-2,2-difluoro-propanoate, MFCD15144891, 3-Bromo-2,2-difluoro-propionic acid ethyl ester, Propanoic acid, 3-bromo-2,2-difluoro-, ethyl ester, SCHEMBL9418568, PLIFTLNQZPFIPS-UHFFFAOYSA-N, Ethyl3-bromo-2,2-difluoropropanoate, AKOS016005639, FS-5899, SB30695, SY249514, DB-060125, CS-0235495, D79192, EN300-157517, Ethyl 3-bromo-2,2-difluoropropionate, >=95.0%

Ethyl 3-bromo-2,2-difluoropropanoate serves as a critical building block in the synthesis of fluorinated pharmaceuticals, particularly protease inhibitors and antiviral agents. It is employed in palladium-catalyzed cross-coupling reactions to introduce difluoromethyl groups into heterocyclic scaffolds. Researchers also utilize it to develop agrochemicals with improved environmental persistence. Its reactivity with Grignard reagents enables the creation of advanced intermediates for specialty chemicals.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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