2-Chloro-4-methylbenzenesulfonyl fluoride

Base Information

• Chemical Name: 2-Chloro-4-methylbenzenesulfonyl fluoride
• CAS No.: 25300-23-6
• Molecular Formula: C₇H₆ClFO₂S
• Molecular Weight: 208.641
• NSC Number: 150519
• DSSTox Substance ID: DTXSID60302375
• Wikidata: Q82047127
• Mol file: 25300-23-6.mol

Synonyms:25300-23-6;NSC 150519;2-chloro-4-methylbenzenesulfonyl fluoride;NSC150519;DTXSID60302375;NSC-150519;2-chloro-4-methylbenzene-1-sulfonyl fluoride;EN300-726923

Chemical Property of 2-Chloro-4-methylbenzenesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 0.0177mmHg at 25°C
• Boiling Point: 262.5°C at 760 mmHg
• Flash Point: 112.5°C
• Density: 1.406g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.9761065
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4-methylbenzenesulfonyl fluoride

There total 2 articles about 2-Chloro-4-methylbenzenesulfonyl fluoride 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: 89.0%

2-chloro-4-methylbenzenesulfonyl chloride (55311-94-9) → C7H6ClFO2S (25300-23-6)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 28 ℃; for 18h; Reagent/catalyst; Solvent;

Reference yield:

2-chloro-4-methyl-benzenamine (615-65-6) → C7H6ClFO2S (25300-23-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; copper(l) chloride; sulfur dioxide; hydrogenchloride; sodium nitrite / water / 4 h / 0 - 5 °C

2: cesium fluoride / N,N-dimethyl-formamide / 18 h / 28 °C

With hydrogenchloride; sulfur dioxide; acetic acid; cesium fluoride; copper(l) chloride; sodium nitrite; In water; N,N-dimethyl-formamide;

upstream raw materials:

2-chloro-4-methyl-benzenamine

2-chloro-4-methylbenzenesulfonyl chloride

Refernces