2,2,2-Tribromoethyl dichlorophosphate

Base Information

• Chemical Name: 2,2,2-Tribromoethyl dichlorophosphate
• CAS No.: 53676-22-5
• Molecular Formula: C2H2Br3Cl2O2P
• Molecular Weight: 399.628
• Hs Code.: 2931900090
• European Community (EC) Number: 622-924-9
• DSSTox Substance ID: DTXSID70403584
• Nikkaji Number: J150.098H
• Wikidata: Q82207286
• Mol file: 53676-22-5.mol

Synonyms:2,2,2-Tribromoethyl dichlorophosphate;53676-22-5;1,1,1-tribromo-2-dichlorophosphoryloxyethane;2,2,2-Tribromoethyl phosphorodichloridate;SCHEMBL8389658;DTXSID70403584;2,2,2-tribromoethyl-dichlorophosphate;AKOS015912987;2,2,2-Tribromoethyl dichlorophosphate, 97%;FT-0640184;InChI=1/C2H2Br3Cl2O2P/c3-2(4,5)1-9-10(6,7)8/h1H

Chemical Property of 2,2,2-Tribromoethyl dichlorophosphate

Chemical Property:

• Vapor Pressure: 0.00229mmHg at 25°C
• Melting Point: 34-36 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 90-92 °C0.4 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 36.11000
• Density: 2.587g/cm³
• LogP: 4.42720
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 397.66991
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

2,2,2-TribromoethylDichlorophosphate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 22-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Br)(Br)Br)OP(=O)(Cl)Cl
• Uses: 2,2,2-Tribromoethyl Dichlorophosphate is a reagent for the synthesis of aryl trihaloethyl dihydrogen phosphates.

Technology Process of 2,2,2-Tribromoethyl dichlorophosphate

There total 1 articles about 2,2,2-Tribromoethyl dichlorophosphate 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:

2,2,2-tribromoethanol (75-80-9) → phosphorodichloridic acid 2,2,2-tribromo-ethyl ester (53676-22-5)

Guidance literature:

With aluminium trichloride; trichlorophosphate;

DOI:10.1055/s-1974-23405

Reference yield: 87.0%

phosphorodichloridic acid 2,2,2-tribromo-ethyl ester (53676-22-5) + aniline (62-53-3) → 2,2,2-tribromoethyl phosphoranilidochloridate (71260-65-6)

Guidance literature:

In diethyl ether; at 20 ℃; for 16h;

Reference yield:

morpholine (110-91-8,99108-56-2) + phosphorodichloridic acid 2,2,2-tribromo-ethyl ester (53676-22-5) → 2,2,2-tribromoethyl moprpholinophosphorochloridate (57575-15-2)

Guidance literature:

DOI:10.1016/S0040-4039(00)75238-5

upstream raw materials:

2,2,2-tribromoethanol

Downstream raw materials:

2,2,2-tribromoethyl moprpholinophosphorochloridate

2,2,2-Tribromoethyl-phospho-(4-butylanilido)-chloridat

2,2,2-tribromoethyl phosphoranilidochloridate

6-N,3'-O-Dibenzoyl-5'-O-<(4-methoxyphenyl)diphenylmethyl>adenosin-2'-<(2-cyanethyl)(2,2,2-tribromethyl)phosphat>