3-(Chlorosulfonyl)-4-hydroxybenzoic acid

Base Information

• Chemical Name: 3-(Chlorosulfonyl)-4-hydroxybenzoic acid
• CAS No.: 77719-02-9
• Molecular Formula: C7H5ClO5S
• Molecular Weight: 236.633
• Hs Code.: 2918290000
• European Community (EC) Number: 830-140-5
• DSSTox Substance ID: DTXSID90507134
• Wikidata: Q82363184
• Mol file: 77719-02-9.mol

Synonyms:3-(chlorosulfonyl)-4-hydroxybenzoic acid;77719-02-9;3-Chlorosulfonyl-4-Hydroxybenzoic Acid;SCHEMBL1424320;DTXSID90507134;UKNHBVJEQDQGIH-UHFFFAOYSA-N;MFCD09046055;AKOS000130053;3-(chlorosulfonyl)-4-hydroxybenzoicacid;BS-53121;CS-0157131;EN300-51943;D83098;Z364003560

Chemical Property of 3-(Chlorosulfonyl)-4-hydroxybenzoic acid

Chemical Property:

• PSA: 100.05000
• LogP: 2.09870
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• 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

3-(Chlorosulfonyl)-4-hydroxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)O

Technology Process of 3-(Chlorosulfonyl)-4-hydroxybenzoic acid

There total 1 articles about 3-(Chlorosulfonyl)-4-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: 60.0%

4-hydroxy-benzoic acid (99-96-7) → 3-(chlorosulfonyl)-4-hydroxybenzoic acid (77719-02-9)

Guidance literature:

With chlorosulfonic acid; at 65 ℃; for 4h;

Reference yield: 80.0%

C37H36N4O10S3 + 3-(chlorosulfonyl)-4-hydroxybenzoic acid (77719-02-9) → C51H44N4O20S5*4H3N

Guidance literature:

With ammonium acetate; In water; at 25 ℃; for 3h;

Reference yield:

3-(chlorosulfonyl)-4-hydroxybenzoic acid (77719-02-9) + zinc (7440-66-6) → 3-mercapto-4-hydroxybenzoic acid (59780-96-0)

Guidance literature:

In hydrogenchloride; acetic acid;

upstream raw materials:

4-hydroxy-benzoic acid

Downstream raw materials:

3-mercapto-4-hydroxybenzoic acid

Refernces

• 1、 -. "HYPOTENSIVE BENZOXATHIOLE PYRROLIDINES". . . Retrieved 2008/06/13.