Phosphorochloridic acid, bis(2-ethylhexyl) ester

Base Information

• Chemical Name: Phosphorochloridic acid, bis(2-ethylhexyl) ester
• CAS No.: 63449-80-9
• Molecular Formula: C16H34ClO3P
• Molecular Weight: 340.871
• DSSTox Substance ID: DTXSID00979661
• Nikkaji Number: J24.104K
• Mol file: 63449-80-9.mol

Synonyms:63449-80-9;Phosphorochloridic acid, bis(2-ethylhexyl) ester;SCHEMBL8678788;DTXSID00979661;Bis(2-ethylhexyl) phosphorochloridate;di-(2-ethylhexyl) phosphorochloridate;LS-107933;Chlorophosphonic acid bis(2-ethylhexyl) ester

Chemical Property of Phosphorochloridic acid, bis(2-ethylhexyl) ester

Chemical Property:

• Vapor Pressure: 3.74E-06mmHg at 25°C
• Boiling Point: 397.1°Cat760mmHg
• Flash Point: 299.6°C
• Density: 0.997g/cm³
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 340.1934096
• Heavy Atom Count: 21
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)Cl

Technology Process of Phosphorochloridic acid, bis(2-ethylhexyl) ester

There total 3 articles about Phosphorochloridic acid, bis(2-ethylhexyl) 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: 97.0%

bis(2-ethylhexyl)phosphite (3658-48-8) → bis(2-ethylhexyl) phosphorochloridate (63449-80-9)

Guidance literature:

With N-chloro-succinimide; at -78 - 20 ℃; Inert atmosphere; neat (no solvent);

DOI:10.1021/ja103783p

Reference yield:

2-Ethylhexyl alcohol (104-76-7) → bis(2-ethylhexyl) phosphorochloridate (63449-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium / 160 °C

2: sulfuryl chloride

With sulfuryl dichloride; sodium;

Reference yield:

di-2-ethylhexyl phosphite (685498-13-9) → bis(2-ethylhexyl) phosphorochloridate (63449-80-9)

Guidance literature:

(chlorination);

upstream raw materials:

bis(2-ethylhexyl)phosphite

di-2-ethylhexyl phosphite

2-Ethylhexyl alcohol

Downstream raw materials:

Bis(2-ethylhexyl)phosphoric acid

(Z)-BrC₆H₄CHCHCH₂OP(O-2-ethylhexyl)2O

(Z)-4-ClC₆H₄CHCHCH₂OP(O-2-ethylhexyl)2O

(Z)-4-CF₃C₆H₄CHCHCH₂OP(O-2-ethylhexyl)2O