Phosphorochloridothioic acid, dibutyl ester

Base Information

• Chemical Name: Phosphorochloridothioic acid, dibutyl ester
• CAS No.: 2524-07-4
• Molecular Formula: C8H18 Cl O2 P S
• Molecular Weight: 244.722
• European Community (EC) Number: 653-951-4
• NSC Number: 407796
• DSSTox Substance ID: DTXSID20214122
• Wikidata: Q83089881
• Mol file: 2524-07-4.mol

Synonyms:Phosphorochloridothioic acid, dibutyl ester;2524-07-4;O,O-Dibutyl phosphorochloridothioate;64047-39-8;Phosphorochloridothionic acid, dibutyl ester;dibutoxychlorophosphine sulfide;SCHEMBL2150345;DIBUTYL CHLOROTHIOPHOSPHATE;DTXSID20214122;NSC407796;AKOS024333993;dibutoxy-chloro-sulfanylidenephosphorane;NSC-407796

Chemical Property of Phosphorochloridothioic acid, dibutyl ester

Chemical Property:

• Boiling Point: 278.6°Cat760mmHg
• Flash Point: 122.3°C
• Density: 1.129g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 244.0453657
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphorochloridothioic acid, dibutyl ester

There total 7 articles about Phosphorochloridothioic 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: 75.0%

butan-1-ol (71-36-3) → dibutyl chlorothiophosphate (2524-07-4)

Guidance literature:

butan-1-ol; With sodium hydride; In tetrahydrofuran; at -10 ℃;

With trichlorothiophosphine; In tetrahydrofuran; at -20 - 20 ℃; for 24h;

DOI:10.2174/1573406415666190716115524

Reference yield: 53.0%

sodium butanolate (2372-45-4) → dibutyl chlorothiophosphate (2524-07-4)

Guidance literature:

With trichlorophosphate;

Reference yield:

O,O-dibutyldithiophosphoric acid (2253-44-3) → dibutyl chlorothiophosphate (2524-07-4)

Guidance literature:

With chlorine;

upstream raw materials:

O,O-dibutyldithiophosphoric acid

dichlorothiophosphoric acid O-butyl ester

butan-1-ol

thiophosphonic acid O,O'-dibutyl ester

Downstream raw materials:

dithiophosphoric acid O,O'-dibutyl ester S-(5-o-tolyloxymethyl-[1,3,4]oxadiazol-2-yl) ester