3-Pyrrolesulfonic acid

Base Information

• Chemical Name: 3-Pyrrolesulfonic acid
• CAS No.: 749255-18-3
• Molecular Formula: C₄H₅NO₃S
• Molecular Weight: 147.155
• DSSTox Substance ID: DTXSID70476990
• Wikidata: Q82309000
• Mol file: 749255-18-3.mol

Synonyms:1H-Pyrrole-3-sulfonic acid;749255-18-3;3-PYRROLESULFONIC ACID;1H-Pyrrole-3-sulfonicacid;azole-4-sulfonic acid;SCHEMBL4946582;DTXSID70476990;MFCD11870154;AKOS006376922;SY315809

Chemical Property of 3-Pyrrolesulfonic acid

Chemical Property:

• PSA: 78.54000
• LogP: 1.34220
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.99901420
• Heavy Atom Count: 9
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC=C1S(=O)(=O)O

Technology Process of 3-Pyrrolesulfonic acid

There total 1 articles about 3-Pyrrolesulfonic 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: 82.0%

pyrrole (109-97-7,30604-81-0) → 1H-pyrrole-4-sulfonic acid (749255-18-3)

Guidance literature:

With sodium hydrogensulfite; pyridinium chlorochromate; In neat (no solvent); at 100 ℃; for 0.0333333h; under 1500.15 Torr; Reagent/catalyst; Microwave irradiation;

DOI:10.1080/10426507.2020.1782909

upstream raw materials:

pyrrole

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