Description

Methyl Bromodifluoroacetate (CAS No. 683-98-7) is a high-purity fluorinated organic compound with the molecular formula C₃H₃BrF₂O₂, widely used in synthetic chemistry and pharmaceutical research. This reagent, also known by its IUPAC name methyl 2-bromo-2,2-difluoroacetate, is a versatile building block for introducing difluoromethyl and bromodifluoroacetyl groups into target molecules. Its unique reactivity stems from the electron-withdrawing effects of the fluorine atoms, making it invaluable for nucleophilic substitution reactions, cross-coupling processes, and the synthesis of fluorinated analogs of biologically active compounds. Supplied in rigorously controlled conditions to ensure stability and consistency, this compound is ideal for researchers developing novel agrochemicals, pharmaceuticals, and specialty materials requiring fluorinated motifs. Available in various quantities with detailed technical specifications, including purity ≥98% (GC), molecular weight of 188.96 g/mol, and a clear liquid appearance under standard conditions.

Properties

• CAS Number: 683-98-7
• Complexity: 103
• IUPAC Name: methyl 2-bromo-2,2-difluoro-acetate
• InChI: InChI=1S/C3H3BrF2O2/c1-8-2(7)3(4,5)6/h1H3
• InChI Key: IOBCLXSGWMFVQJ-UHFFFAOYSA-N
• Exact Mass: 187.92845
• Molecular Formula: C3H3BrF2O2
• Molecular Weight: 188.96
• SMILES: COC(=O)C(F)(F)Br
• Topological: 26.3
• Monoisotopic Mass: 187.92845
• Synonyms: Methyl Bromodifluoroacetate, 683-98-7, DTXSID60382591, DTXCID30333616, 677-562-4, methyl 2-bromo-2,2-difluoroacetate, methyl bromo(difluoro)acetate, Bromodifluoroacetic Acid Methyl Ester, MFCD06248118, Acetic acid, bromodifluoro-, methyl ester, SCHEMBL543581, bromo-difluoroacetic acid methylester, BBL101974, SBB090867, STL555771, AKOS006228821, AS-47874, DB-370989, CS-0121434, M2020, F16563

Application

Methyl Bromodifluoroacetate serves as a critical intermediate in the synthesis of fluorinated pharmaceuticals, enabling the introduction of difluoromethyl groups to enhance metabolic stability and bioavailability. It is employed in palladium-catalyzed cross-coupling reactions to construct complex fluorinated scaffolds for drug discovery. Additionally, this reagent finds utility in agrochemical research for developing herbicides and pesticides with improved environmental persistence. Its reactivity is also leveraged in materials science for creating fluorinated polymers with unique surface properties.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, 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. 2 (100%)
• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (50%)
• Acute Tox. 4 (50%)

If you are interested or have any questions, please contact us at support@atomfair.com

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