Benzenesulfonic acid, 3-chloro-4-methyl-

Base Information

• Chemical Name: Benzenesulfonic acid, 3-chloro-4-methyl-
• CAS No.: 98-34-0
• Molecular Formula: C7H7 Cl O3 S
• Molecular Weight: 206.65
• European Community (EC) Number: 202-659-1
• DSSTox Substance ID: DTXSID0059168
• Nikkaji Number: J30.582K
• Wikidata: Q81988690
• Mol file: 98-34-0.mol

Synonyms:Benzenesulfonic acid, 3-chloro-4-methyl-;98-34-0;3-chloro-4-methylbenzenesulfonic acid;2-Chlorotoluene-4-sulfonic acid;2-Chlorotoluene-4-sulphonic acid;EINECS 202-659-1;2-chlortoluen-4-sulfonsyre;2-Chlortoluol-4-sulfosaure;SCHEMBL3386873;DTXSID0059168;2-chloro-para-toluene sulfonic acid;EN300-7864441;3-CHLORO-4-METHYLBENZENE-1-SULFONIC ACID

Chemical Property of Benzenesulfonic acid, 3-chloro-4-methyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.471g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.9804429
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

99%, ^*data from raw suppliers

3-CHLORO-4-METHYLBENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)O)Cl

Technology Process of Benzenesulfonic acid, 3-chloro-4-methyl-

There total 11 articles about Benzenesulfonic acid, 3-chloro-4-methyl- 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: 82.0%

toluene-4-sulfonic acid (104-15-4) → 3-chloro-4-methylbenzenesulfonic acid (98-34-0)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In water; at 45 ℃; for 4h; Temperature;

DOI:10.1021/op980083s

Reference yield:

→ 3-chloro-4-methylbenzenesulfonic acid (98-34-0)

Guidance literature:

With hydrogenchloride; at 150 ℃;

Reference yield:

→ 3-chloro-4-methylbenzenesulfonic acid (98-34-0)

Guidance literature:

With chlorine; at 20 ℃;

upstream raw materials:

p-toluenesulfonyl chloride

toluene

3-amino-4-methylbenzenesulfonic acid

3-chloro-4-methylbenzenesulfonyl chloride

Downstream raw materials:

3-chloro-4-methylbenzenesulfonyl chloride

3-chloro-4-methylbenzenesulfonamide

5-amino-2-chloro-toluene-4-sulfonic acid

3-chloro-4-formyl-benzenesulfonic acid

Refernces

• 1、 -. "Method for producing CLT acid nitride in continuous pipelization mode". . . Retrieved 2016/12/01.
• 2、 Cerfontain, Hans,Koeberg-Telder, Ankie,Laali, Khosrow,Lambrechts, Hans J. A.,Wit, Peter de. "Aromatic sulfonation 85. Halogen directing and steric effects in the sulfonation of the twelve halogenotoluenes and some related compounds". . p. 390 - 392. Retrieved 2007/10/02.