Dibutyl sulfate

Base Information

• Chemical Name: Dibutyl sulfate
• CAS No.: 625-22-9
• Molecular Formula: C8H18 O4 S
• Molecular Weight: 210.295
• Hs Code.: 29209090
• European Community (EC) Number: 613-047-2
• DSSTox Substance ID: DTXSID80211536
• Nikkaji Number: J43.307A
• Wikidata: Q9336200
• Mol file: 625-22-9.mol

Synonyms:Dibutyl sulfate;625-22-9;Di-n-butyl sulfate;di-n-butylsulfate;Dibutylsulfate;Di-n-butylsulfat;SULFURIC ACID, DIBUTYL ESTER;Dibutyl sulphate;sulfuric acid dibutyl ester;Di-n-butylsulfat [German];Di-n-butyl sulphate;Sulphuric acid dibutyl ester;BRN 1707498;CCRIS 9255;dibutylsulfat;Di-n-butyl sulfate, 95%;SCHEMBL19733;DTXSID80211536;MFCD00059420;AKOS025396836;BS-22310;LS-148205;5-Fluoro-2-(trifluoromethyl)phenylaceticacid;CS-0206817;D1633;FT-0625167;D95290;A833825;Q9336200

Chemical Property of Dibutyl sulfate

Chemical Property:

• Vapor Pressure: 0.00493mmHg at 25°C
• Melting Point: -79.7°C
• Refractive Index: n20/D 1.421
• Boiling Point: 115-116°C 6mm
• Flash Point: 115-116°C/6mm
• Density: 1.062 g/mL at 20 °C(lit.)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 210.09258022
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%,99%, ^*data from raw suppliers

Di-N-butylSulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1707498
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 28-36/37/39-60-36-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOS(=O)(=O)OCCCC

Technology Process of Dibutyl sulfate

There total 2 articles about Dibutyl sulfate 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%

tri-n-butyl phosphite (102-85-2) → sulfuric acid dibutyl ester (625-22-9) + phosphoric acid tributyl ester (126-73-8) + dibutyl butylphosphonate (78-46-6)

Guidance literature:

With sulfur trioxide; In dichloromethane; at -50 ℃;

DOI:10.1246/bcsj.54.3495

Reference yield: 2.0%

tri-n-butyl phosphite (102-85-2) → sulfuric acid dibutyl ester (625-22-9) + phosphoric acid tributyl ester (126-73-8) + O,O,O-tributyl phosphorothioate (78-47-7,12408-16-1) + dibutyl butylphosphonate (78-46-6)

Guidance literature:

With sulfur trioxide; In dichloromethane; at -50 ℃;

DOI:10.1246/bcsj.54.3495

Reference yield: 88.6%

α-phenyl-β-(2-methoxy-4-aminophenyl)acrylonitrile (27280-72-4) + sulfuric acid dibutyl ester (625-22-9) → 3-phenyl-7-(N,N-dibutylamino)coumarin

Guidance literature:

α-phenyl-β-(2-methoxy-4-aminophenyl)acrylonitrile; sulfuric acid dibutyl ester; With sodium carbonate; In chlorobenzene; at 105 - 123 ℃; for 20h;

With aluminum (III) chloride; In chlorobenzene; at 60 - 80 ℃; for 4h;

upstream raw materials:

tri-n-butyl phosphite

Downstream raw materials:

1-bromo-butane

1-butylbenzene

1-Heptyne

1,2-Heptadiene

Refernces