Diethyl [dibromo(fluoro)methyl]phosphonate

Base Information

• Chemical Name: Diethyl [dibromo(fluoro)methyl]phosphonate
• CAS No.: 65094-25-9
• Molecular Formula: C5H10 Br2 F O3 P
• Molecular Weight: 327.913
• Hs Code.: 2931900090
• European Community (EC) Number: 641-153-9
• DSSTox Substance ID: DTXSID50371676
• Nikkaji Number: J582.258K
• Wikidata: Q82159096
• Mol file: 65094-25-9.mol

Synonyms:65094-25-9;Diethyl [dibromo(fluoro)methyl]phosphonate;1-[[dibromo(fluoro)methyl]-ethoxyphosphoryl]oxyethane;DIETHYL (DIBROMOFLUOROMETHYL)PHOSPHONATE, 98;SCHEMBL4757795;DTXSID50371676;Diethyl (dibromofluoromethyl)phosphonate;Dibromofluoromethylphosphonic acid diethyl ester;(Dibromo-fluoro-methyl)-phosphonic acid diethyl ester

Chemical Property of Diethyl [dibromo(fluoro)methyl]phosphonate

Chemical Property:

• Boiling Point: 212 °C(lit.)
• Flash Point: 217 °F
• PSA: 45.34000
• Density: 1.756 g/mL at 25 °C(lit.)
• LogP: 3.62310
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 327.86979
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(F)(Br)Br)OCC

Technology Process of Diethyl [dibromo(fluoro)methyl]phosphonate

There total 2 articles about Diethyl [dibromo(fluoro)methyl]phosphonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

tribromofluoromethane (353-54-8) + triethyl phosphite (122-52-1) → diethyl dibromofluoromethylphosphonate (65094-25-9)

Guidance literature:

In hexane; for 264h; Ambient temperature; Irradiation;

DOI:10.1016/0040-4020(96)00859-9

Reference yield:

→ diethyl dibromofluoromethylphosphonate (65094-25-9)

Guidance literature:

DOI:10.1016/S0022-1139(00)83108-5

Reference yield:

diethyl dibromofluoromethylphosphonate (65094-25-9) → dibromofluoromethane (1868-53-7) + diethyl fluorophosphate (358-74-7)

Guidance literature:

With potassium fluoride; ethanol; In Triethylene glycol dimethyl ether; at 20 ℃;

DOI:10.1016/j.jfluchem.2011.05.034

upstream raw materials:

tribromofluoromethane

triethyl phosphite

Downstream raw materials:

tetraethyl fluoromethylenebisphosphonate

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