2-bromoethylphosphonic Acid

Base Information

• Chemical Name: 2-bromoethylphosphonic Acid
• CAS No.: 999-82-6
• Molecular Formula: C2H6 Br O3 P
• Molecular Weight: 188.95
• Hs Code.: 2931900090
• European Community (EC) Number: 810-974-6
• DSSTox Substance ID: DTXSID40394218
• Nikkaji Number: J502.663F
• Wikidata: Q72455520
• Mol file: 999-82-6.mol

Synonyms:2-bromoethylphosphonic Acid;(2-bromoethyl)phosphonic acid;999-82-6;(2-Bromoethyl)-phosphonic acid;C2H6BrO3P;bromoethyl-phosphonic acid;(2-bromoethyl)phosphonicacid;SCHEMBL57198;DTXSID40394218;BFKXVERGWXHHIH-UHFFFAOYSA-N;2-bromoethylphosphonic acid, 98 %;AMY31194;Phosphonic acid,P-(2-broMoethyl)-;MFCD00013957;STK367243;AKOS005444194;B5013;FT-0693850;S12083;A858397

Chemical Property of 2-bromoethylphosphonic Acid

Chemical Property:

• Melting Point: 93-95℃
• Density: 2.012±0.06 g/cm3 (20 ºC 760 Torr)
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.92379
• Heavy Atom Count: 7
• Complexity: 86.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2-Bromoethyl)phosphonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)P(=O)(O)O

Technology Process of 2-bromoethylphosphonic Acid

There total 5 articles about 2-bromoethylphosphonic Acid 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: 90.0%

bis(trimethylsilyl) (2-bromoethyl)phosphonate (69310-54-9) → (2-bromoethyl)phosphonic acid (999-82-6)

Guidance literature:

With water; In methanol; at 20 ℃; for 1.5h;

DOI:10.1016/S0040-4039(00)86687-3

Reference yield: 80.0%

diethyl 2-bromoethylphosphonate (5324-30-1) → (2-bromoethyl)phosphonic acid (999-82-6)

Guidance literature:

diethyl 2-bromoethylphosphonate; With boron tribromide; In hexane; toluene; at 70 ℃; for 6h;

With methanol; In hexane; toluene; at 20 ℃;

DOI:10.1055/s-2001-12354

Reference yield:

β-Brom-ethyl-phosphor-dibromid (19247-79-1) → (2-bromoethyl)phosphonic acid (999-82-6)

Guidance literature:

With dihydrogen peroxide; Heating;

DOI:10.1021/jo01349a074

upstream raw materials:

(2-bromoethyl)phosphonic dichloride

diethyl 2-bromoethylphosphonate

β-Brom-ethyl-phosphor-dibromid

bis(trimethylsilyl) (2-bromoethyl)phosphonate

Refernces

• 1、 Soroka, Miroslaw,Stochaj, Monika. "Comments on a New Simple Route to N-Substituted 2-Aminoethylphosphonic Acids. A Reinvestigation". . p. 3781 - 3788. Retrieved 2003.
• 2、 Dreef, C. E.,Valentijn, A. R. P. M.,Vroom, E. de,Marel, G. A. van der,Boom, J. H. van. "AN APPROACH TOWARDS THE FORMATION OF AN ESTER BOND BETWEEN THE PRIMARY HIDROXYL OF A β-D-GALACTOPYRANOSIDE AND 2-AMINOETHYLPHOSPHONIC ACID AND ITS N-METHYL SUBSTITUTED DERIVATIVES". . p. 1199 - 1202. Retrieved 2007/10/02.