3-Formylbenzenesulfonic acid

Base Information

• Chemical Name: 3-Formylbenzenesulfonic acid
• CAS No.: 98-45-3
• Molecular Formula: C7H6 O4 S
• Molecular Weight: 186.188
• UNII: 4PB54HE80G
• DSSTox Substance ID: DTXSID601018993
• Nikkaji Number: J3.202.874H
• Wikidata: Q27260322
• Mol file: 98-45-3.mol

Synonyms:3-formylbenzenesulfonic acid;3-Sulfobenzaldehyde;98-45-3;benzaldehyde-3-sulfonic acid;m-Sulfobenzaldehyde;m-Formylbenzenesulfonic acid;Benzenesulfonic acid, 3-formyl-;UNII-4PB54HE80G;4PB54HE80G;m-Sulfobenzaldehyd;SCHEMBL1373920;DTXSID601018993;MFCD24673773;AKOS024254540;Q27260322

Chemical Property of 3-Formylbenzenesulfonic acid

Chemical Property:

• PSA: 79.82000
• LogP: 1.82660
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 185.99867984
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

3-Sulfobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Formylbenzenesulfonic acid

There total 5 articles about 3-Formylbenzenesulfonic 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:

benzaldehyde (100-52-7) → benzaldehyde-3-sulfonic acid (98-45-3)

Guidance literature:

With sulfur trioxide;

Reference yield:

benzaldehyde (100-52-7) → benzaldehyde-3-sulfonic acid (98-45-3) + benzaldehyde 3,5-disulfonic acid (86581-46-6)

Guidance literature:

With sulfur trioxide; water; Product distribution; multistep reaction; various reaction conditions;

DOI:10.1002/recl.19941130906

Reference yield:

sulfuric acid (7664-93-9) + benzaldehyde (100-52-7) → benzaldehyde-3-sulfonic acid (98-45-3)

Guidance literature:

upstream raw materials:

benzaldehyde

sulfuric acid

sulfur trioxide

Downstream raw materials:

3-sulfosalicylic acid

3-Carboxyphenol

3-[5,6-dichloro-1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]benzenesulfonic acid