Indoxyl sulfate

Base Information

• Chemical Name: Indoxyl sulfate
• CAS No.: 487-94-5
• Deprecated CAS: 130385-38-5
• Molecular Formula: C8H7NO4S
• Molecular Weight: 213.214
• UNII: KT0QA88913
• DSSTox Substance ID: DTXSID701043787
• Nikkaji Number: J6.028C
• Wikipedia: Indoxyl_sulfate
• Wikidata: Q11712146
• Metabolomics Workbench ID: 37364
• ChEMBL ID: CHEMBL1233636
• Mol file: 487-94-5.mol

Synonyms:1H-Indol-3-ol Hydrogen Sulfate Ester;Indican;Indican Monopotassium Salt;Indican Monosodium Salt;Indoxyl Sulfate;Monopotassium Salt, Indican;Monosodium Salt, Indican;Sulfate, Indoxyl

Chemical Property of Indoxyl sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.63±0.18(Predicted)
• Flash Point: °C
• PSA: 87.77000
• Density: 1.666g/cm³
• LogP: 2.43030
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.00957888
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

99%, ^*data from raw suppliers

1H-INDOL-3-OL HYDROGEN SULFATE ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O

Technology Process of Indoxyl sulfate

There total 1 articles about Indoxyl sulfate 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-(2-nitrophenyl)-2-propynoic acid (530-85-8) → Indican (487-94-5)

Guidance literature:

im Kaninchenorganismus;

Reference yield:

Indican (487-94-5) → indoxyl (480-93-3)

Guidance literature:

With Helix pomatia arylsulfatase; In aq. acetate buffer; at 21 ℃; for 4h; Catalytic behavior; Enzymatic reaction;

DOI:10.1039/c8sc01502c

Reference yield:

Indican (487-94-5) → sulfuric acid (7664-93-9) + indoxyl (480-93-3)

Guidance literature:

Reaktion des Kaliumsalzes;

upstream raw materials:

3-(2-nitrophenyl)-2-propynoic acid

Downstream raw materials:

sulfuric acid

indoxyl