4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid

Base Information

• Chemical Name: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid
• CAS No.: 56447-54-2
• Molecular Formula: C7H3Cl2FO4S
• Molecular Weight: 273.069
• Hs Code.: 2916399090
• European Community (EC) Number: 826-739-6
• DSSTox Substance ID: DTXSID70458074
• Wikidata: Q72517871
• Mol file: 56447-54-2.mol

Synonyms:4-chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid;56447-54-2;4-CHLORO-5-CHLOROSULFONYL-2-FLUOROBENZOIC ACID;4-chloro-5-chlorosulphonyl-2-fluorobenzoic acid;4-chloro-5-chlorosulfonyl-2-fluoro-benzoic Acid;SCHEMBL3201757;DTXSID70458074;YMIBTQKARVYVLX-UHFFFAOYSA-N;MFCD06658273;AKOS000132877;CS-0157852;FT-0601424;EN300-59758;4-chloro-5-(chlorosulfonyl)-2-fluorobenzoicacid;4-Chloro-2-Fluoro-5-(Chlorosulfonyl)benzoic Acid;A831051;AN-652/43420872;Fmoc-(R)-3-amino-4-(3-benzothienyl)butanoicacid;J-515036;Z361880970;4-chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid, AldrichCPR

Chemical Property of 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid

Chemical Property:

• Vapor Pressure: 4.75E-08mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 427 °C at 760 mmHg
• PKA: 1.84±0.10(Predicted)
• Flash Point: 212 °C
• PSA: 79.82000
• Density: 1.764 g/cm³
• LogP: 3.18560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 271.9113133
• Heavy Atom Count: 15
• Complexity: 353

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1S(=O)(=O)Cl)Cl)F)C(=O)O

Technology Process of 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid

There total 1 articles about 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic 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: 90.0%

4-chloro-2-fluorobenzoic acid (446-30-0) → 4-chloro-2-fluoro-5-chlorosulfonylbenzoic acid (56447-54-2)

Guidance literature:

With chlorosulfonic acid; at 0 - 140 ℃;

Reference yield: 93.0%

4-chloro-2-fluoro-5-chlorosulfonylbenzoic acid (56447-54-2) → C7H2ClFO4S(2-)*2Na(1+)

Guidance literature:

With sodium sulfite; In water; at 20 ℃; for 6h; pH=9;

Reference yield:

4-chloro-2-fluoro-5-chlorosulfonylbenzoic acid (56447-54-2) → 4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid (54-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; ammonia / tetrahydrofuran / 16 h / 0 - 20 °C

2: N-ethyl-N,N-diisopropylamine / 1,2-dimethoxyethane / 16 h / 130 °C

With ammonia; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,2-dimethoxyethane;

upstream raw materials:

4-chloro-2-fluorobenzoic acid

Downstream raw materials:

4-chloro-2-fluoro-5-phenylmethanesulfonyl-benzoic acid

4-chloro-2-fluoro-5-methanesulfonylbenzoic acid

4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid

4-chloro-2-fluoro-5-sulfamoylbenzoic acid

Refernces

• 1、 -. "FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE". Paragraph 0056; 0059; 0064-0065. . Retrieved 2021/01/23.