Description

Methyl 2-bromo-2-fluoropropanoate (CAS No. 157415-07-1) is a high-purity fluorinated ester compound with the molecular formula C₄H₆BrFO₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and agrochemical development due to its reactive bromo- and fluoro-functional groups. Its IUPAC name, methyl 2-bromo-2-fluoropropanoate, reflects its esterified propanoate structure with halogen substitutions at the alpha position. Suitable for nucleophilic substitution reactions, this compound is supplied as a clear to pale-yellow liquid with stringent quality controls to ensure consistency in research applications. Store under inert conditions to maintain stability.

Properties

• CAS Number: 157415-07-1
• Complexity: 106
• IUPAC Name: methyl 2-bromo-2-fluoro-propanoate
• InChI: InChI=1S/C4H6BrFO2/c1-4(5,6)3(7)8-2/h1-2H3
• InChI Key: IKRDKJVRFGHKNK-UHFFFAOYSA-N
• Exact Mass: 183.95352
• Molecular Formula: C4H6BrFO2
• Molecular Weight: 184.99
• SMILES: CC(C(=O)OC)(F)Br
• Topological: 26.3
• Monoisotopic Mass: 183.95352
• Synonyms: Methyl 2-bromo-2-fluoropropanoate, 157415-07-1, DTXSID70466098, DTXCID70416917, 700-390-9, METHYL 2-BROMO-2-FLUOROPROPIONATE, Propanoic acid, 2-bromo-2-fluoro-, methyl ester, SCHEMBL98576, MFCD18074353, AKOS016011989, METHYL2-BROMO-2-FLUOROPROPANOATE, DB-334774, CS-0447443

Application

Methyl 2-bromo-2-fluoropropanoate serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated analogs of bioactive molecules. It is particularly valuable in the preparation of protease inhibitors and other pharmacologically active compounds where fluorine substitution enhances metabolic stability. Researchers also employ this reagent in the development of agrochemicals, leveraging its halogenated ester functionality for targeted modifications. Its reactivity in radical and nucleophilic reactions makes it a useful intermediate in material science applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• 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

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

Hazard Classes and Categories

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

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.