Description

Diethyl (difluoromethyl)phosphonate (CAS 1478-53-1) is a high-purity organophosphorus compound with the molecular formula C₅H₁₁F₂O₃P. This specialized reagent is widely utilized in organic synthesis, pharmaceutical research, and agrochemical development due to its unique difluoromethylphosphonate moiety. The compound is supplied as a clear, colorless to pale yellow liquid with a characteristic ester-like odor. It is moisture-sensitive and should be stored under inert atmosphere at recommended temperatures to maintain stability. Our product undergoes rigorous QC testing including GC, NMR, and LC-MS to ensure ≥95% purity (typical batch purity 97-99%). Available in research quantities (5g, 25g) up to bulk scale (1kg, 5kg), each batch is accompanied by comprehensive analytical documentation including COA, MSDS, and NMR spectra. The compound’s IUPAC name is 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane, and it features reactive P=O and P-C-F₂ groups that make it valuable for Horner-Wadsworth-Emmons reactions and fluorinated analog synthesis.

Properties

• CAS Number: 1478-53-1
• Complexity: 141
• IUPAC Name: 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
• InChI: InChI=1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
• InChI Key: VVFGLBKYBBUTRO-UHFFFAOYSA-N
• Exact Mass: 188.04138753
• Molecular Formula: C5H11F2O3P
• Molecular Weight: 188.11
• SMILES: CCOP(=O)(C(F)F)OCC
• Topological: 35.5
• Monoisotopic Mass: 188.04138753
• Synonyms: 1478-53-1, Diethyl (difluoromethyl)phosphonate, Difluoromethylphosphonic acid diethyl ester, Phosphonic acid, (difluoromethyl)-, diethyl ester, DTXSID20163803, DTXCID2086294, 673-917-2, diethyl difluoromethanephosphonate, diethyl (difluoromethane)phosphonate, diethyl difluoromethylphosphonate, 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane, Phosphonic acid, P-(difluoromethyl)-, diethyl ester, DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER, MFCD00192023, Phosphonic acid,P-(difluoromethyl)-, diethyl ester, C5H11F2O3P, Diethyl(difluoromethyl)phosphonate, SCHEMBL193239, SCHEMBL9051636, CHEMBL5207763, diethyl difluoromethane phosphonate, diethyl(difluoromethyl)-phosphonate, diethyl-(difluoromethyl)-phosphonate, AKOS005216219, AS-68783, Diethyl (difluoromethyl)phosphonate, 97%, SY062739, 1-(difluoromethyl-ethoxyphosphoryl)oxyethane, Difluoromethyl-phosphonic acid diethyl ester, CS-0094054, (Difluoromethyl)phosphonic acid, diethyl ester, (difluoromethyl) phosphonic acid, diethyl ester, C13418, EN300-100935

Application

Diethyl (difluoromethyl)phosphonate serves as a key building block in medicinal chemistry for introducing CF₂ groups into target molecules. Researchers employ this reagent in the synthesis of fluorinated phosphate analogs for enzyme inhibition studies. The compound finds particular utility in creating prodrugs and bioactive molecules where the difluoromethyl group enhances metabolic stability. In material science, it acts as a precursor for flame-retardant additives and specialty polymers. Agricultural chemists utilize it to develop novel phosphonate-based crop protection agents with improved environmental profiles.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Acute Tox. 4 (33.3%)
• Skin Corr. 1B (100%)
• Eye Irrit. 2A (33.3%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (33.3%)

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