CID 20267720

Base Information

• Chemical Name: CID 20267720
• CAS No.: 3040-56-0
• Molecular Formula: C4H9 Cl2 O4 P
• Molecular Weight: 222.993
• Hs Code.: 2919900090
• DSSTox Substance ID: DTXSID50184485
• Mol file: 3040-56-0.mol

Synonyms:DTXSID50184485

Chemical Property of CID 20267720

Chemical Property:

• Vapor Pressure: 0.000241mmHg at 25°C
• Boiling Point: 301.8°Cat760mmHg
• PKA: 1.32±0.50(Predicted)
• Flash Point: 136.3°C
• PSA: 65.57000
• Density: 1.469g/cm³
• LogP: 1.59760
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 220.9537261
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

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

Di-β,β''-ChloroethylphosphoricAcid(1.0mg/mlinToluene) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)OP(=O)([O-])OCCCl
• Uses: Di-β,β'-Chloroethylphosphoric Acid, is a dialkyl hydrogen phosphates, that can undergo the electrophilic trifluor- omethylation to produce trifluoromethyl phosphates in order to increase the lipophilicity of functional groups. Di-β,β''-Chloroethylphosphoric Acid, is a dialkyl hydrogen phosphates, that can undergo the electrophilic trifluor- omethylation to produce trifluoromethyl phosphates in order to increase the lipophilicity of functional groups.

Technology Process of CID 20267720

There total 2 articles about CID 20267720 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: 70.0%

bis(2-chloroethyl) chlorophosphate (6087-94-1) → bis(2-chloroethyl) phosphate (3040-56-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃;

DOI:10.1016/j.jfluchem.2011.08.014

Reference yield:

tris(2-chloro-ethyl)phosphite (140-08-9) → bis(2-chloroethyl) phosphate (3040-56-0)

Guidance literature:

With 1,4-dioxane; potassium permanganate; sulfuric acid;

upstream raw materials:

tris(2-chloro-ethyl)phosphite

bis(2-chloroethyl) chlorophosphate