2,4-Diisopropylbenzenesulphonyl chloride

Base Information

• Chemical Name: 2,4-Diisopropylbenzenesulphonyl chloride
• CAS No.: 93777-28-7
• Molecular Formula: C12H17 Cl O2 S
• Molecular Weight: 260.785
• Hs Code.: 2904909090
• European Community (EC) Number: 298-058-7
• DSSTox Substance ID: DTXSID20239613
• Nikkaji Number: J348.677J
• Wikidata: Q83122005
• Mol file: 93777-28-7.mol

Synonyms:93777-28-7;2,4-Diisopropylbenzenesulphonyl chloride;EINECS 298-058-7;C12H17ClO2S;C12-H17-Cl-O2-S;DTXSID20239613;AKOS000137954;2,4-Diisopropylbenzenesulfonic acid chloride

Chemical Property of 2,4-Diisopropylbenzenesulphonyl chloride

Chemical Property:

• Boiling Point: 319°Cat760mmHg
• Flash Point: 146.7°C
• PSA: 42.52000
• Density: 1.152g/cm³
• LogP: 4.94170
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 260.0637786
• Heavy Atom Count: 16
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C=C1)S(=O)(=O)Cl)C(C)C

Technology Process of 2,4-Diisopropylbenzenesulphonyl chloride

There total 2 articles about 2,4-Diisopropylbenzenesulphonyl chloride 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:

1,3-diisopropylbenzene (99-62-7) → 2,4-diisopropylbenzenesulfonylchloride (93777-28-7)

Guidance literature:

With chlorosulfonic acid; In chloroform; at -5 - 20 ℃; for 1h; Yield given;

DOI:10.1016/S0040-4020(01)85016-X

Reference yield:

→ 2,4-diisopropylbenzenesulfonylchloride (93777-28-7)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1021/ja01252a062

Reference yield:

2,4-diisopropylbenzenesulfonylchloride (93777-28-7) → 2,4-diisopropylthiophenol (42369-42-6)

Guidance literature:

With sulfuric acid; zinc; In water; Yield given; 1.) 0 deg C, 1 h, 2.) reflux, 6 h;

DOI:10.1016/S0040-4020(01)85016-X

upstream raw materials:

1,3-diisopropylbenzene

Downstream raw materials:

2,4-diisopropylthiophenol

Refernces