2,4-Diethylbenzenesulphonic acid

Base Information

• Chemical Name: 2,4-Diethylbenzenesulphonic acid
• CAS No.: 63877-58-7
• Molecular Formula: C10H14 O3 S
• Molecular Weight: 214.285
• Hs Code.: 2904100000
• European Community (EC) Number: 264-543-7
• UNII: WF29C6LX3P
• DSSTox Substance ID: DTXSID70980663
• Nikkaji Number: J286.586F
• Wikidata: Q82966654
• Mol file: 63877-58-7.mol

Synonyms:2,4-diethylbenzenesulfonic acid;2,4-Diethylbenzenesulphonic acid;63877-58-7;WF29C6LX3P;EINECS 264-543-7;UNII-WF29C6LX3P;2,4-Diethylbenzene-1-sulfonic acid;SCHEMBL7546576;DTXSID70980663;Benzenesulfonic acid, 2,4-diethyl-;2,4-DIETHYLBENZENE-1-SULPHONIC ACID;BENZENESULPHONIC ACID, 2,4-DIETHYL-

Chemical Property of 2,4-Diethylbenzenesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.75000
• Density: 1.204g/cm³
• LogP: 3.13890
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.06636548
• Heavy Atom Count: 14
• Complexity: 266

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)S(=O)(=O)O)CC

Technology Process of 2,4-Diethylbenzenesulphonic acid

There total 4 articles about 2,4-Diethylbenzenesulphonic acid 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:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,4-diethyl-benzenesulfonic acid (63877-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride / 70 °C

2: durch Sulfurierung

With aluminium trichloride;

DOI:10.1021/ja01411a029

Reference yield:

m-diethylbenzene (141-93-5) + 1,4-diethylbenzene (105-05-5) → 2,4-diethyl-benzenesulfonic acid (63877-58-7)

Guidance literature:

durch Sulfurierung;

DOI:10.1021/ja01411a029

Reference yield:

ethyl bromide (74-96-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,4-diethyl-benzenesulfonic acid (63877-58-7)

Guidance literature:

With aluminium trichloride; und Behandeln des erhaltenen Gemisches von 1.3- und 1.4-Diaethyl-benzol mit schwach rauch.Schwefelsaeure;

upstream raw materials:

m-diethylbenzene

1,4-diethylbenzene

ethyl bromide

benzene

Downstream raw materials:

2,4-diethylphenol