3-(Chlorosulfonyl)-2,6-difluorobenzoic acid

Base Information

• Chemical Name: 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid
• CAS No.: 142576-91-8
• Molecular Formula: C7H3ClF2O4S
• Molecular Weight: 256.614
• European Community (EC) Number: 875-382-2
• DSSTox Substance ID: DTXSID60391264
• Wikidata: Q82188616
• Mol file: 142576-91-8.mol

Synonyms:3-(chlorosulfonyl)-2,6-difluorobenzoic acid;142576-91-8;3-Chlorosulfonyl-2,6-difluoro-benzoic acid;3-chlorosulfonyl-2,6-difluorobenzoic acid;MFCD03030334;Benzoic acid, 3-(chlorosulfonyl)-2,6-difluoro-;Benzoic acid, 3-chlorosulfonyl-2,6-difluoro-;SCHEMBL3524188;DTXSID60391264;STR07500;AC4202;STK985633;AKOS000122268;SY041194;3-(chlorosulfonyl)-2,6-difluorobenzoicacid;CS-0446392;EN300-01840;J-510850;3-chlorosulfonyl-2,6-difluoro-benzoic acid, AldrichCPR

Chemical Property of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid

Chemical Property:

• PSA: 79.82000
• LogP: 2.67130
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 255.9408638
• Heavy Atom Count: 15
• Complexity: 353

Purity/Quality:

97% ^*data from raw suppliers

3-(Chlorosulfonyl)-2,6-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)Cl

Technology Process of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid

There total 3 articles about 3-(Chlorosulfonyl)-2,6-difluorobenzoic 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: 67.0%

→ 3-(chlorosulfonyl)-2,6-difluorobenzoic acid (142576-91-8)

Guidance literature:

Reference yield: 54.0%

2,6-difluorobenzoic acid (385-00-2) → 3-(chlorosulfonyl)-2,6-difluorobenzoic acid (142576-91-8)

Guidance literature:

With chlorosulfonic acid; at 120 ℃; for 2h; Inert atmosphere;

Reference yield:

→ 3-(chlorosulfonyl)-2,6-difluorobenzoic acid (142576-91-8) + 2,6-difluoro-3-(4-methyl-1-piperazinyl)sulfonylbenzoic acid

Guidance literature:

upstream raw materials:

2,6-difluorobenzoic acid

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