Bis(1,3-dichloro-2-propyl) phosphate

Base Information

• Chemical Name: Bis(1,3-dichloro-2-propyl) phosphate
• CAS No.: 72236-72-7
• Molecular Formula: C₆H₁₁Cl₄O₄P
• Molecular Weight: 319.937
• DSSTox Substance ID: DTXSID30992969
• Nikkaji Number: J521.188C
• Wikidata: Q82983476
• Metabolomics Workbench ID: 87162
• Mol file: 72236-72-7.mol

Synonyms:Bis(1,3-dichloro-2-propyl) phosphate;72236-72-7;bis(1,3-dichloropropan-2-yl) hydrogen phosphate;2-Propanol, 1,3-dichloro-, hydrogen phosphate;C6-H11-Cl4-O4-P;BDCIPP;SCHEMBL2780658;DTXSID30992969;CHEBI:166469;Bis-(1,3-dichloro-2-propyl) phosphate;1,3-Dichloro-2-propanol Hydrogen Phosphate;bis(1,3-dichloro-2-propyl) hydrogen phosphate;Phosphoric acid bis(1,3-dichloropropane-2-yl) ester;2-Propanol, 1,3-dichloro-, 2,2'-(hydrogen phosphate)

Chemical Property of Bis(1,3-dichloro-2-propyl) phosphate

Chemical Property:

• Vapor Pressure: 2.09E-07mmHg at 25°C
• Boiling Point: 396.9°Cat760mmHg
• PKA: 1.18±0.50(Predicted)
• Flash Point: 193.8°C
• PSA: 65.57000
• Density: 1.536g/cm³
• LogP: 2.81240
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 319.911956
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

NLT 98% ^*data from raw suppliers

Bis(1,3-dichloro-2-propyl)Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)OP(=O)(O)OC(CCl)CCl)Cl
• Uses: Bis(1,3-dichloro-2-propyl) Phosphate is a metabolite of the flame retardant Tris(1,3-dichloro-2-propyl) Phosphate (T876305).

Technology Process of Bis(1,3-dichloro-2-propyl) phosphate

There total 2 articles about Bis(1,3-dichloro-2-propyl) 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:

phosphorous acid tris-(2-chloro-1-chloromethyl-ethyl) ester (6749-73-1) → bis(1,3-dichloro-2-propyl) phosphate (72236-72-7)

Guidance literature:

With phosphoric acid; In nitromethane;

Reference yield:

1,3-Dichloro-2-propanol (96-23-1) → bis(1,3-dichloro-2-propyl) phosphate (72236-72-7)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

1,3-Dichloro-2-propanol

phosphorous acid tris-(2-chloro-1-chloromethyl-ethyl) ester