Phosphorochloridic acid, dibutyl ester

Base Information

• Chemical Name: Phosphorochloridic acid, dibutyl ester
• CAS No.: 819-43-2
• Molecular Formula: C8H18 Cl O3 P
• Molecular Weight: 228.656
• NSC Number: 2649
• UNII: 24FV5ZB3EC
• DSSTox Substance ID: DTXSID20231455
• Nikkaji Number: J24.097D
• Wikidata: Q72465292
• Mol file: 819-43-2.mol

Synonyms:819-43-2;Phosphorochloridic acid, dibutyl ester;Di-n-Butyl Phosphorochloridate;1-[butoxy(chloro)phosphoryl]oxybutane;Dibutyl chlorophosphate;Dibutyl phosphorochloridate;Phosphorochloridicacid, dibutyl ester;NSC 2649;AI3-18563;NSC-2649;Dibutoxyphosphoryl Chloride;Dibutoxychlorophosphine Oxide;Dibutylphosphorochloridate;di-n-butyl chlorophosphate;Chlorodibutoxyphosphine oxide;24FV5ZB3EC;Phosphorochloridic acid, dibutyl ester (8CI)(9CI);SCHEMBL178128;dibutoxyphosphinic acid chloride;DTXSID20231455;NSC2649;ZJEHRMYJNACSLL-UHFFFAOYSA-N;AKOS028111092;FT-0666528

Chemical Property of Phosphorochloridic acid, dibutyl ester

Chemical Property:

• Vapor Pressure: 0.00693mmHg at 25°C
• Boiling Point: 279.1°C at 760 mmHg
• Flash Point: 147.1°C
• PSA: 45.34000
• Density: 1.094g/cm³
• LogP: 3.96670
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 228.0682091
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

Di-n-ButylPhosphorochloridate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOP(=O)(OCCCC)Cl

Technology Process of Phosphorochloridic acid, dibutyl ester

There total 9 articles about Phosphorochloridic acid, dibutyl 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:

phosphorus pentachloride (10026-13-8,874483-75-7) + butan-1-ol (71-36-3) → butyl dichlorophosphate (1498-52-8) + n-Butyl chloride (109-69-3) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3) + dibutyl chlorophosphate (819-43-2)

Guidance literature:

at -10 ℃;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + phosphorus pentachloride (10026-13-8,874483-75-7) + butan-1-ol (71-36-3) → butyl dichlorophosphate (1498-52-8) + n-Butyl chloride (109-69-3) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3) + dibutyl chlorophosphate (819-43-2)

Guidance literature:

at -10 ℃;

Reference yield:

dibutyl chlorophosphite (4124-92-9) + tin(IV) chloride (7646-78-8) → (((C4H9O)2P(O))2)SnCl2 + butyl dichlorophosphite (10496-13-6) + n-Butyl chloride (109-69-3) + tin(ll) chloride + dibutyl chlorophosphate (819-43-2)

Guidance literature:

In neat (no solvent); Ar atmosphere; reaction of org. compd. and SnCl4 (10 h, 45°C); not sepd.;

upstream raw materials:

diethyl ether

tri-n-butyl phosphite

chloropicrin

hexachloroethane

Downstream raw materials:

n-Butyl chloride

9-butyl-9H-carbazole

phenylcarbamimidoyl-amidophosphoric acid diisobutyl ester

(BuO)2P(O)NHC₆H₅

Refernces

• 1、 Muratova, A. A.,Sobanova, O. B.,Yarkova, E'. G.,Sarycheva, T. I.,Khramov, A. S.,Pudovik, A. N.. "REACTIONS OF DIALKYL PHOSPHOROCHLORIDITES AND PHOSPHOROBROMIDITES WITH TIN TETRAHALIDES". . p. 410 - 417. Retrieved 2007/10/02.