Description

Dimethyl Fluoromalonate (CAS 344-14-9) is a high-purity fluorinated malonate ester with the molecular formula C₅H₇FO₄. This specialized chemical, also known by its IUPAC name dimethyl 2-fluoropropanedioate, is a valuable building block in synthetic organic chemistry and pharmaceutical research. The compound features a reactive fluorinated malonate core, making it particularly useful for nucleophilic fluorination reactions and as a precursor for fluorinated heterocycles.

Our Dimethyl Fluoromalonate is rigorously quality-controlled to ensure consistency in research applications. It is supplied as a clear, colorless to pale yellow liquid with a characteristic ester-like odor. The product is packaged under inert gas to maintain stability and is available in various quantities to suit laboratory-scale and process development needs.

Key specifications include:

• Molecular Weight: 150.11 g/mol
• Boiling Point: ~185-190°C
• Density: ~1.22 g/cm³
• Purity: ≥97% (GC)

Proper storage conditions (2-8°C under inert atmosphere) and handling precautions (use in well-ventilated areas with appropriate PPE) are recommended to maintain product integrity and ensure safety.

Properties

• CAS Number: 344-14-9
• Complexity: 129
• IUPAC Name: dimethyl 2-fluoropropanedioate
• InChI: InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
• InChI Key: ZVXHZSXYHFBIEW-UHFFFAOYSA-N
• Exact Mass: 150.03283686
• Molecular Formula: C5H7FO4
• Molecular Weight: 150.10
• SMILES: COC(=O)C(C(=O)OC)F
• Topological: 52.6
• Monoisotopic Mass: 150.03283686
• Synonyms: DIMETHYL FLUOROMALONATE, 344-14-9, DTXSID60371844, DTXCID20322877, 670-542-6, dimethyl 2-fluoromalonate, dimethyl 2-fluoropropanedioate, dimethylfluoromalonate, 2-fluoro-malonic acid dimethyl ester, dimethyl2-fluoromalonate, 1,3-dimethyl 2-fluoropropanedioate, C5H7FO4, Propanedioic acid, fluoro-, dimethyl ester, MFCD00054680, dimethyl fluoropropanedioate, dimethyl alpha-fluoromalonate, SCHEMBL19492, ZVXHZSXYHFBIEW-UHFFFAOYSA-N, HMS1745A18, dimethyl 2-fluoropropane-1,3-dioate, SBB086684, methyl 2-fluoro-4-methoxyacetoacetate, AKOS001105957, 2-fluoro-propanedioic acid dimethyl ester, AS-20062, DB-026514, CS-0020165, EN300-14293, propanedioic acid, 2-fluoro-, 1,3-dimethyl ester, Z99599894

Application

Dimethyl Fluoromalonate serves as a versatile fluorinated synthon in pharmaceutical and agrochemical research. The compound is particularly valuable for introducing fluorine atoms into target molecules through nucleophilic substitution reactions. Researchers utilize this chemical in the synthesis of fluorinated pyrimidines and other heterocyclic compounds with potential biological activity. Its malonate functionality allows for further derivatization through classic malonate chemistry while maintaining the valuable fluorine substituent.

Safety and Hazards

GHS Hazard Statements

• H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (12.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (87.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (12.5%)
• Acute Tox. 3 (12.5%)
• Skin Corr. 1B (87.5%)
• Acute Tox. 3 (12.5%)

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