1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-

Base Information

• Chemical Name: 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-
• CAS No.: 877-19-0
• Molecular Formula: C₆H₄O₅S
• Molecular Weight: 188.161
• DSSTox Substance ID: DTXSID40430781
• Nikkaji Number: J1.475.537C
• Mol file: 877-19-0.mol

Synonyms:877-19-0;quinonsulfonic acid;1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-;3,6-dioxocyclohexa-1,4-diene-1-sulfonic Acid;2-Sulfo-1,4-benzoquinone;SCHEMBL155174;DTXSID40430781;3,6-dioxocyclohexa-1,4-diene-1-sulfonicAcid

Chemical Property of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 187.97794440
• Heavy Atom Count: 12
• Complexity: 392

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C(=CC1=O)S(=O)(=O)O

Technology Process of 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-

There total 3 articles about 1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo- 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:

→ 3,6-dioxo-cyclohexa-1,4-dienesulfonic acid (877-19-0)

Guidance literature:

With sulfuric acid; water; lead dioxide;

DOI:10.1021/ja01132a005

Reference yield:

dobesilate (88-46-0) → 3,6-dioxo-cyclohexa-1,4-dienesulfonic acid (877-19-0)

Guidance literature:

With lead dioxide;

Reference yield:

5-amino-2-hydroxybenzenesulfonic acid (2835-04-3) → 3,6-dioxo-cyclohexa-1,4-dienesulfonic acid (877-19-0)

Guidance literature:

With sulfuric acid; lead dioxide; das Ammoniumsalz entsteht;

upstream raw materials:

dobesilate

5-amino-2-hydroxybenzenesulfonic acid