5-Chlorosulfonyl-2-hydroxybenzoic acid

Base Information

• Chemical Name: 5-Chlorosulfonyl-2-hydroxybenzoic acid
• CAS No.: 17243-13-9
• Molecular Formula: C7H5 Cl O5 S
• Molecular Weight: 236.633
• Hs Code.: 2918290000
• European Community (EC) Number: 630-164-4
• DSSTox Substance ID: DTXSID00380430
• Nikkaji Number: J27.026A
• Wikidata: Q82170661
• Mol file: 17243-13-9.mol

Synonyms:17243-13-9;5-Chlorosulfonyl-2-hydroxybenzoic acid;5-(Chlorosulfonyl)-2-Hydroxybenzoic Acid;5-(Chlorosulfonyl)salicylic acid;5-chlorosulfonyl-2-hydroxy-benzoic Acid;Benzoic acid, 5-(chlorosulfonyl)-2-hydroxy-;MFCD00052974;2-Hydroxy-5-chlorosulfonylbenzoic acid;5-chlorosulphonyl-2-hydroxybenzoic acid;5-(Chlorosulfonyl)-2-hydroxybenzoicacid;Benzoic acid,5-(chlorosulfonyl)-2-hydroxy-;SCHEMBL1020899;DTXSID00380430;SJXHSFSHNKFRLN-UHFFFAOYSA-N;STL363254;AKOS000273691;BP-13173;PS-10866;5-(Chlorosulphonyl)-2-hydroxybenzoic acid;4-hydroxy-3-carboxybenzenesulfonyl chloride;BB 0237910;FT-0620338;EN300-05542;A18305;J-010821;5-(Chlorosulfonyl)-2-hydroxybenzoic acid, AldrichCPR;Z57720989

Chemical Property of 5-Chlorosulfonyl-2-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 2.53E-08mmHg at 25°C
• Melting Point: 171-174°C
• Boiling Point: 434.6°C at 760 mmHg
• PKA: 1.39±0.10(Predicted)
• Flash Point: 216.6°C
• PSA: 100.05000
• Density: 1.726g/cm³
• LogP: 2.09870
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 235.9546221
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

5-(Chlorosulfonyl)-2-hydroxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)O
• Uses: 5-(Chlorosulfonyl)-2-hydroxybenzoic acid is a useful reagent for organic synthesis.

Technology Process of 5-Chlorosulfonyl-2-hydroxybenzoic acid

There total 8 articles about 5-Chlorosulfonyl-2-hydroxybenzoic 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: 65.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 5-chlorosulfonyl-2-hydroxybenzoic acid (17243-13-9)

Guidance literature:

With chlorosulfonic acid; at 70 - 80 ℃; for 1.5h;

Reference yield: 51.0%

aspirin (50-78-2,98201-60-6) → 5-chlorosulfonyl-2-hydroxybenzoic acid (17243-13-9)

Guidance literature:

With chlorosulfonic acid; for 2h; Ambient temperature;

Reference yield: 37.0%

4-Hydroxy-5-(3-dimethylamino-2-propenoyl)-benzolsulfonylchlorid (135251-12-6) → 5-chlorosulfonyl-2-hydroxybenzoic acid (17243-13-9)

Guidance literature:

With sulfuryl dichloride; for 0.166667h; Ambient temperature;

DOI:10.1002/ardp.19953280315

upstream raw materials:

sodium salicylate

5-sulfosalicylic Acid

salicylic acid

aspirin

Downstream raw materials:

2-hydroxy-5-(4-sulfamoyl-phenylsulfamoyl)-benzoic acid

2-hydroxy-5-(N-phenyl)sulfonamidobenzoic acid

5-(4-acetylamino-phenylsulfamoyl)-2-hydroxy-benzoic acid

2-hydroxy-5-mercaptobenzoic acid

Refernces

• 1、 Sheng, Kai,Yan, Bing,Qiao, Xiao-Fei. "Rare earth centered hybrid materials: Tb3+ covalently bonded with La3+, Gd3+, Y3+ through sulfonamide bridge and luminescence enhancement". experimental part. p. 653 - 662. Retrieved 2012/05/05.
• 2、 -. "NOVEL PROCESS FOR THE PREPARATION OF SILDENAFIL CITRATE". Page/Page column 6; 11. . Retrieved 2008/06/13.