Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate

Base Information

• Chemical Name: Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate
• CAS No.: 76649-15-5
• Molecular Formula: C9H18 Cl3 O4 P
• Molecular Weight: 327.572
• Hs Code.: 2919900090
• European Community (EC) Number: 616-366-5
• DSSTox Substance ID: DTXSID70274251
• Nikkaji Number: J453.506E
• Mol file: 76649-15-5.mol

Synonyms:76649-15-5;Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate;1-chloropropan-2-yl bis(2-chloropropyl) phosphate;Bis(2-chloropropyl) 2-chloroisopropyl phosphate;Phosphoric acid, 2-chloro-1-methylethyl bis(2-chloropropyl) ester;SCHEMBL12585275;DTXSID70274251;A839980;2-Chloro-1-methylethylbis(2-chloropropyl) phosphate;(2-Chloro-1-methylethyl) bis(2-chloropropyl) phosphate;1-chloranylpropan-2-yl bis(2-chloranylpropyl) phosphate;phosphoric acid 1-chloropropan-2-yl bis(2-chloropropyl) ester;Phosphoric acid 2-chloro-1-methylethylbis(2-chloropropyl) ester

Chemical Property of Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate

Chemical Property:

• Vapor Pressure: 5.25E-05mmHg at 25°C
• Boiling Point: 358.5°C at 760 mmHg
• Flash Point: 249.7°C
• PSA: 54.57000
• Density: 1.281g/cm³
• LogP: 4.02620
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 326.000829
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COP(=O)(OCC(C)Cl)OC(C)CCl)Cl

Technology Process of Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate

There total 3 articles about Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate 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:

methyloxirane (75-56-9,16033-71-9) → Tris(2-chloropropyl) phosphate (6145-73-9) + 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + tris-(2-chloro, 1-methylethyl)-phosphate (13674-84-5) + bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate (76025-08-6) + 2-chloro-1-methylethyl bis(2-chloropropyl)phosphate (76649-15-5)

Guidance literature:

With trichlorophosphate; aluminum (III) chloride; at 40 - 65 ℃; for 6h; Product distribution / selectivity;

Reference yield:

methyloxirane (75-56-9,16033-71-9) → Tris(2-chloropropyl) phosphate (6145-73-9) + tris-(2-chloro, 1-methylethyl)-phosphate (13674-84-5) + bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate (76025-08-6) + 2-chloro-1-methylethyl bis(2-chloropropyl)phosphate (76649-15-5)

Guidance literature:

With trichlorophosphate; aluminum (III) chloride; at 50 - 95 ℃; for 6h; Product distribution / selectivity;

Reference yield:

methyloxirane (75-56-9,16033-71-9) → tris-(2-chloro, 1-methylethyl)-phosphate (13674-84-5) + bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate (76025-08-6) + 2-chloro-1-methylethyl bis(2-chloropropyl)phosphate (76649-15-5)

Guidance literature:

With trichlorophosphate; aluminum (III) chloride; at 25 - 75 ℃; for 6h; Product distribution / selectivity;

upstream raw materials:

methyloxirane

Refernces