2H-1-Benzopyran-2-one, 7-(sulfooxy)-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 7-(sulfooxy)-
• CAS No.: 69526-88-1
• Molecular Formula: C₉H₆O₆S
• Molecular Weight: 242.209
• Hs Code.: 2932209090
• European Community (EC) Number: 636-213-6
• DSSTox Substance ID: DTXSID70989494
• Nikkaji Number: J664.806A
• Wikidata: Q82978633
• Metabolomics Workbench ID: 78532
• ChEMBL ID: CHEMBL1555500
• Mol file: 69526-88-1.mol

Synonyms:7-hydroxycoumarin sulfate ester

Chemical Property of 2H-1-Benzopyran-2-one, 7-(sulfooxy)-

Chemical Property:

• Melting Point: 204-205 °C
• PSA: 105.02000
• Density: 1.692g/cm³
• LogP: 1.71280
• Storage Temp.: −70°C
• Solubility.: Methanol (Slightly, Heated, Sonicated), Water (Slightly, Heated)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 241.98850908
• Heavy Atom Count: 16
• Complexity: 406

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-HydroxycoumarinSulfatePotassiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)O
• Uses: 7-Hydroxy CouMarin Sulfate is found in hepatocyte, microsome, S9 fraction of human, dog, monkey, rat and mouse liver. The product can be used for the assay of coumarin metabolites.

Technology Process of 2H-1-Benzopyran-2-one, 7-(sulfooxy)-

There total 1 articles about 2H-1-Benzopyran-2-one, 7-(sulfooxy)- 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:

7-hydroxy-2H-chromen-2-one (93-35-6) → 7-Hydroxycoumarin sulfate (69526-88-1)

Guidance literature:

With pyridine; chlorosulphuric acid;

DOI:10.1042/bj0610569

upstream raw materials:

7-hydroxy-2H-chromen-2-one

Refernces