Description

Diethyl Fluoromalonate (CAS 685-88-1) is a highly versatile fluorinated malonate ester with the molecular formula C₇H₁₁FO₄. This compound, also known by its IUPAC name diethyl 2-fluoropropanedioate, is a clear to pale yellow liquid widely used in organic synthesis and pharmaceutical research. Its unique fluorinated structure makes it a valuable building block for the preparation of fluorinated heterocycles, agrochemicals, and bioactive molecules. With a purity of ≥98%, our Diethyl Fluoromalonate is rigorously tested via GC, NMR, and HPLC to ensure consistency for sensitive applications. It is supplied in amber glass bottles under inert gas to maintain stability and is suitable for use in nucleophilic fluorination reactions, cross-coupling reactions, and as a precursor for fluorinated intermediates. Store in a cool, dry place away from oxidizing agents.

Properties

• CAS Number: 685-88-1
• Complexity: 151
• IUPAC Name: diethyl 2-fluoropropanedioate
• InChI: InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
• InChI Key: GOWQBFVDZPZZFA-UHFFFAOYSA-N
• Exact Mass: 178.06413699
• Molecular Formula: C7H11FO4
• Molecular Weight: 178.16
• SMILES: CCOC(=O)C(C(=O)OCC)F
• Topological: 52.6
• Monoisotopic Mass: 178.06413699
• Synonyms: Diethyl fluoromalonate, Diethyl 2-fluoromalonate, Fluoromalonic acid diethyl ester, Diethyl fluoropropanedioate, Propanedioic acid, fluoro-, diethyl ester, MALONIC ACID, FLUORO-, DIETHYL ESTER, EINECS 211-684-7, NSC 521723, BRN 1775686, 9RG5PXU326, NSC-521723, DTXSID80218626, EC 211-684-7, 4-02-00-01899 (Beilstein Handbook Reference), DTXCID30141117, Propanedioic acid, fluoro-, diethyl ester (9CI), 211-684-7, 685-88-1, 1,3-diethyl 2-fluoropropanedioate, diethyl 2-fluoropropanedioate, diethylfluoromalonate, 2-fluoro-malonic acid diethyl ester, Ethyl fluoromalonate, diethyl 2-fluoropropane-1,3-dioate, MFCD00009139, C7H11FO4, FLUOROPROPANEDIOIC ACID DIETHYL ESTER, diethyl-fluoromalonate, Diethyl 2-fluoromalonate #, UNII-9RG5PXU326, Diethyl fluoromalonate, 97%, SCHEMBL223479, 2-Fluoromalonic acid diethyl ester, 2-fluoro malonic acid diethyl ester, BCP23308, Monofluoromalonic acid diethyl ester, BBL100643, FD2094, NSC521723, SBB089387, STL554437, AKOS005063390, CS-W002046, FD15041, GS-3628, PB19857, DB-001349, F0283, NS00008189, EN300-93352

Application

Diethyl Fluoromalonate is widely employed as a key fluorinated synthon in pharmaceutical and agrochemical research, particularly in the synthesis of fluorinated analogs of biologically active compounds. It serves as a precursor for the preparation of fluorinated heterocycles and specialty chemicals via nucleophilic substitution or condensation reactions. Researchers also utilize it in the development of fluorinated polymers and materials with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1C (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.