Description

Ethyl 2,2-dibromopropanoate (CAS No. 34757-17-0) is a high-purity brominated ester compound with the molecular formula C₅H₈Br₂O₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and agrochemical development due to its reactive dibromo functionality. The product is supplied as a clear to pale yellow liquid with a characteristic ester odor, and it is rigorously tested for purity, stability, and consistency. Suitable for use as a building block in nucleophilic substitution reactions or as a precursor for more complex molecules. Packaged under inert gas to ensure maximum shelf life and stored in amber glass bottles to prevent degradation. Technical data sheets with detailed specifications (including NMR, HPLC, and GC-MS analysis) are available upon request.

Properties

• CAS Number: 34757-17-0
• Complexity: 112
• IUPAC Name: ethyl 2,2-dibromopropanoate
• InChI: InChI=1S/C5H8Br2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3
• InChI Key: DCPDRQNPPXSXIB-UHFFFAOYSA-N
• Exact Mass: 259.88706
• Molecular Formula: C5H8Br2O2
• Molecular Weight: 259.92
• SMILES: CCOC(=O)C(C)(Br)Br
• Topological: 26.3
• Monoisotopic Mass: 257.88910
• Synonyms: 34757-17-0, Propanoic acid, 2,2-dibromo-, ethyl ester, DTXSID50447764, DTXCID50398585, Ethyl 2,2-dibromopropanoate, 2,2-Dibromopropanoic acid ethyl ester, ethyl dibromopropionate, SCHEMBL2321956, DCPDRQNPPXSXIB-UHFFFAOYSA-N, 2,2-Dibrom-propionsaure-athylester, EN300-39847680

Application

Ethyl 2,2-dibromopropanoate serves as a versatile intermediate in organic synthesis, particularly for introducing dibromoalkyl groups into target molecules. Researchers employ this compound in the development of pharmaceuticals, where it acts as a precursor for active pharmaceutical ingredients (APIs) with potential antibacterial or antifungal properties. In material science, it may be used to modify polymer chains or create flame-retardant additives. Its reactivity also makes it valuable in agrochemical research for synthesizing novel pesticides or herbicides.

Safety and Hazards

GHS Hazard Statements

• H227 (100%): Combustible liquid [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

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

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