Phosphorodichloridic acid, 2-chloro-1-(chloromethyl)ethyl ester

Base Information

• Chemical Name: Phosphorodichloridic acid, 2-chloro-1-(chloromethyl)ethyl ester
• CAS No.: 13674-85-6
• Molecular Formula: C3H5Cl4O2P
• Molecular Weight: 245.85600
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID70451363
• Nikkaji Number: J24.062A
• Wikidata: Q82271346
• Mol file: 13674-85-6.mol

Synonyms:13674-85-6;1,3-Dichloro-2-dichlorophosphoryloxypropane;Phosphorodichloridic acid, 2-chloro-1-(chloromethyl)ethyl ester;SCHEMBL10933358;DTXSID70451363;Dichloro[1-(chloromethyl)-2-chloroethoxy]phosphine oxide

Chemical Property of Phosphorodichloridic acid, 2-chloro-1-(chloromethyl)ethyl ester

Chemical Property:

• Boiling Point: 122-124 °C(Press: 12 Torr)
• PSA: 36.11000
• Density: 1.5800 g/cm3
• LogP: 3.43490
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 245.875177
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)OP(=O)(Cl)Cl)Cl

Technology Process of Phosphorodichloridic acid, 2-chloro-1-(chloromethyl)ethyl ester

There total 6 articles about Phosphorodichloridic acid, 2-chloro-1-(chloromethyl)ethyl ester 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%

1,3-Dichloro-2-propanol (96-23-1) → 1,3-dichloro-2-propanyl phosphorochloridate (13674-85-6)

Guidance literature:

With triethylamine; trichlorophosphate; In diethyl ether; at 0 ℃;

DOI:10.1016/j.tetlet.2010.07.140

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1,3-dichloro-2-propanyl phosphorochloridate (13674-85-6) + 2,3-dichloropropyl phosphorodichloridate (64348-61-4)

Guidance literature:

With phosphorus pentachloride; In benzene; at 5 - 8 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

1,3-Dichloro-2-propanol (96-23-1) → 1,3-dichloro-2-propanyl phosphorochloridate (13674-85-6)

Guidance literature:

With trichlorophosphate; at 130 ℃;

upstream raw materials:

epichlorohydrin

1,3-Dichloro-2-propanol

glycerol

3-chloroprop-1-ene

Downstream raw materials:

Phosphorsaeure-diethylester-(β,β'-dichlor-isopropylester)