4-Chloro-2-fluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Chloro-2-fluorobenzenesulfonyl chloride
• CAS No.: 141337-26-0
• Molecular Formula: C6H3Cl2FO2S
• Molecular Weight: 229.059
• Hs Code.: 2904909090
• European Community (EC) Number: 626-454-5
• DSSTox Substance ID: DTXSID60381165
• Wikidata: Q72450525
• Mol file: 141337-26-0.mol

Synonyms:141337-26-0;4-Chloro-2-fluorobenzenesulfonyl chloride;4-Chloro-2-fluorobenzene-1-sulfonyl chloride;4-chloro-2-fluorobenzenesulphonyl chloride;Benzenesulfonyl chloride, 4-chloro-2-fluoro-;4-chloro-2-fluoro-benzenesulfonyl Chloride;methyl3-bromopyruvate;SCHEMBL1029355;DTXSID60381165;ZFZRENUEJCOCRE-UHFFFAOYSA-N;MFCD03094560;AKOS000117045;GS-3647;4-Chloro-2-fluorobenzenesulfonylchloride;2-fluoro-4-chlorobenzenesulfonyl chloride;4-chloro-2-fluorobenzene sulfonyl chloride;2-fluoro-4-chloro benzene sulfonyl chloride;4-CHLORO-2-FLUOROphenylsulfonyl CHLORIDE;CS-0157094;FT-0643325;4-chloro-2 fluorobenzene-1-sulfonyl chloride;EN300-07901;4-Chloro-2-fluorobenzenesulfonyl chloride, 97%;A807753;J-007484

Chemical Property of 4-Chloro-2-fluorobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.0234mmHg at 25°C
• Melting Point: 34-38 °C(lit.)
• Refractive Index: 1.55
• Boiling Point: 257.4 °C at 760 mmHg
• Flash Point: 109.5 °C
• PSA: 42.52000
• Density: 2.096 g/cm³
• LogP: 3.48740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.9214841
• Heavy Atom Count: 12
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-fluorobenzene-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)S(=O)(=O)Cl
• Uses: 4-Chloro-2-fluorobenzenesulfonyl chloride (4-chloro-2-fluorobenzene-1-sulfonyl chloride) may be used to synthesize [1-(4-chloro-2-fluorophenylsulfonyl) piperidin-4-yl] diphenylmethanol.

Technology Process of 4-Chloro-2-fluorobenzenesulfonyl chloride

There total 2 articles about 4-Chloro-2-fluorobenzenesulfonyl 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: 87.1%

cuprous (I) chloride + 2-fluoro-4-chloroaniline (57946-56-2) → 4-chloro-2-fluorobenzenesulfonyl chloride (141337-26-0)

Guidance literature:

With hydrogenchloride; acetic acid; sodium nitrite; In water;

Reference yield: 73.0%

2-fluoro-4-chloroaniline (57946-56-2) → 4-chloro-2-fluorobenzenesulfonyl chloride (141337-26-0)

Guidance literature:

2-fluoro-4-chloroaniline; With hydrogenchloride; sodium nitrite; In water; acetic acid; at 0 ℃; for 0.666667h;

With sulfur dioxide; copper(l) chloride; In water; acetic acid; at 0 - 20 ℃; for 1h;

at 0 - 20 ℃;

Reference yield: 92.0%

4-chloro-2-fluorobenzenesulfonyl chloride (141337-26-0) + 3-(hydroxymethy)piperidine (4606-65-9) → [1-(4-chloro-2-fluoro-benzenesulfonyl)-piperidin-3-yl]-methanol (1040879-95-5)

Guidance literature:

3-(hydroxymethy)piperidine; With triethylamine; In dichloromethane; at 20 ℃; for 0.333333h;

4-chloro-2-fluorobenzenesulfonyl chloride; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

2-fluoro-4-chloroaniline

Downstream raw materials:

4-chloro-2-fluoro-N-phenylbenzenesulfonamide

methyl 2-{[(4-chloro-2-fluorophenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylate

4-chloro-2-[(4-formylbenzyl)oxy]-N-phenylbenzenesulfonamide

C₆H₃ClF₂O₂S

Refernces

• 1、 -. "Cannabinoid receptor ligands". Page 56. . Retrieved 2008/06/13.