Description

Diethyl propylphosphonate (CAS No. 18812-51-6) is a high-purity organophosphorus compound with the molecular formula C₇H₁₇O₃P and IUPAC name 1-diethoxyphosphorylpropane. This colorless to pale yellow liquid is a versatile intermediate in organic synthesis, particularly in the preparation of phosphorus-containing ligands, flame retardants, and agrochemicals. Its unique structure, featuring a propyl group bonded to a diethoxyphosphoryl moiety, makes it valuable for modifying reactivity in metal-catalyzed reactions and as a precursor for further functionalization. With a molecular weight of 180.18 g/mol and density of approximately 1.02 g/cm³, it exhibits good solubility in common organic solvents while being sparingly soluble in water. Our product is rigorously tested to ensure ≥98% purity (GC), with low levels of residual solvents and metals, making it suitable for sensitive applications in pharmaceutical research and specialty chemistry. Packaged under inert gas in amber glass bottles to prevent degradation, it is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and GC-MS spectra for quality verification.

Properties

• CAS Number: 18812-51-6
• Complexity: 126
• IUPAC Name: 1-diethoxyphosphorylpropane
• InChI: InChI=1S/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3
• InChI Key: RUIKOPXSCCGLOM-UHFFFAOYSA-N
• Exact Mass: 180.09153140
• Molecular Formula: C7H17O3P
• Molecular Weight: 180.18
• SMILES: CCCP(=O)(OCC)OCC
• Topological: 35.5
• Monoisotopic Mass: 180.09153140
• Synonyms: Diethyl propylphosphonate, 18812-51-6, Diethyl propanephosphonate, Phosphonic acid, propyl-, diethyl ester, Diethyl-n-propylphosphonate, Diethoxypropylphosphine oxide, diethyl n-propylphosphonate, o,o-Diethyl propylphosphonate, DTXSID10172161, DTXCID5094652, inchi=1/c7h17o3p/c1-4-7-11(8,9-5-2)10-6-3/h4-7h2,1-3h, ruikopxsccglom-uhfffaoysa-n, 1-diethoxyphosphorylpropane, Diethyl 1-propanephosphonate, Diethyl 1-Propylphosphonate, Phosphonic acid, P-propyl-, diethyl ester, propyl-phosphonic acid diethyl ester, MFCD00015139, 1-diethoxyphosphoryl-propane, SCHEMBL248038, C7H17O3P, SCHEMBL3336588, SCHEMBL3336592, BCP07293, propane-phosphonic acid diethyl ester, 1-Propylphosphonic acid diethyl ester, AKOS015901905, AS-10731, NS00026162, C93438, EN300-7342372

Application

Diethyl propylphosphonate serves as a key building block in the synthesis of organophosphorus compounds for catalytic systems and material science applications. Researchers utilize it as a precursor for modified phosphonate ligands in transition metal catalysis, particularly for cross-coupling reactions. In materials chemistry, it finds use in the development of flame-retardant additives for polymers due to its phosphorus content. The compound also shows utility in medicinal chemistry as an intermediate for prodrug development and enzyme inhibitor design.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (33.3%)

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.