2,4-Dimethylbenzenesulfonyl chloride

Base Information

• Chemical Name: 2,4-Dimethylbenzenesulfonyl chloride
• CAS No.: 609-60-9
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 679-227-8
• DSSTox Substance ID: DTXSID4060571
• Nikkaji Number: J134.532J
• Wikidata: Q72469384
• Mol file: 609-60-9.mol

Synonyms:2,4-dimethylbenzenesulfonyl chloride;609-60-9;2,4-dimethylbenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 2,4-dimethyl-;2,4-Dimethyl-benzenesulfonyl chloride;MFCD00156143;2,4-Dimethylbenzene sulfonyl chloride;SCHEMBL692131;DTXSID4060571;2,4-dimethylphenylsulfonyl chloride;BBL013796;STK397399;AKOS000200611;2,4-Dimethyl benzene sulfonyl chloride;1-(2,4-dimethylphenyl)sulfonyl chloride;AS-19824;2,4-Dimethylbenzenesulfonyl chloride, 97%;AM20040843;CS-0153317;FT-0632539;EN300-04436;A24482;J-507243;F0808-2027;2,4-Dimethylbenzene-1-sulfonyl chloride;2,4-Dimethyl-1-benzenesulfonyl chloride

Chemical Property of 2,4-Dimethylbenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00501mmHg at 25°C
• Melting Point: 28-30 °C
• Refractive Index: 1.538
• Boiling Point: 284.8 °C at 760 mmHg
• Flash Point: 126 °C
• PSA: 42.52000
• Density: 1.29 g/cm³
• LogP: 3.31170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-51-24/25-22-7/9-6

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylbenzenesulfonyl chloride

There total 6 articles about 2,4-Dimethylbenzenesulfonyl 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: 83.0%

m-xylene (108-38-3,104809-90-7) → 2,4-dimethylbenzenesulfonyl chloride (609-60-9)

Guidance literature:

With chlorosulfonic acid; sodium chloride; In tetrachloromethane; hexane; chloroform; at 0 ℃;

DOI:10.1002/poc.3588

Reference yield:

2,4-dimethylbenzenesulfonic acid (88-61-9) → 2,4-dimethylbenzenesulfonyl chloride (609-60-9)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; N-ethyl-N,N-diisopropylamine; In acetone; Heating / reflux;

Reference yield:

→ 2,4-dimethylbenzenesulfonyl chloride (609-60-9)

Guidance literature:

With chlorosulfonic acid;

upstream raw materials:

m-xylene

2,4-Xylidine

2,4-dimethylbenzenesulfonic acid

Downstream raw materials:

2,4-dimethyl-thiophenol

2,4-dimethylphenyl phenyl sulfone

2,4-dimethylbenzenesulfonamide

N-<(2,4-dimethylphenyl)sulfonyl>threonine

Refernces

• 1、 Bellotti, Peter,Glorius, Frank,Heidrich, Bastian,Huang, Huan-Ming,Pflüger, Philipp M.,Schwarz, J. Luca. "Three-Component, Interrupted Radical Heck/Allylic Substitution Cascade Involving Unactivated Alkyl Bromides". supporting information. p. 10173 - 10183. Retrieved 2020/06/27.
• 2、 Iazykov, Mykyta,Rublova, Ludmila,Canlel, Moisés,Santaballa, J. Arturo. "Solvent network at the transition state in the solvolysis of hindered sulfonyl compounds". . . Retrieved 2016/12/22.