8-Hydroxyquinoline-4-carboxylic acid

Base Information

• Chemical Name: 8-Hydroxyquinoline-4-carboxylic acid
• CAS No.: 55698-67-4
• Molecular Formula: C10H7 N O3
• Molecular Weight: 189.17
• Hs Code.: 2933499090
• European Community (EC) Number: 259-765-6
• NSC Number: 120753
• UNII: LG29EB6D6Q
• DSSTox Substance ID: DTXSID00204228
• Nikkaji Number: J296.472D
• Wikidata: Q27456888
• ChEMBL ID: CHEMBL1435274
• Mol file: 55698-67-4.mol

Synonyms:8-Hydroxyquinoline-4-carboxylic acid;55698-67-4;8-Hydroxy-quinoline-4-carboxylic acid;8-Hydroxycinchoninic acid;8-Hydroxy-4-quinolinecarboxylic acid;LG29EB6D6Q;CHEMBL1435274;EINECS 259-765-6;NSC-120753;4bis;NSC120753;4-Quinolinecarboxylic acid, 8-hydroxy-;UNII-LG29EB6D6Q;SCHEMBL298623;DTXSID00204228;8-Hydroxyquinoline-4-carboxylicacid;BDBM50361473;MFCD00094193;AKOS006275717;NSC 120753;SB37653;NCGC00183785-01;AS-42679;CS-0099419;Q27456888

Chemical Property of 8-Hydroxyquinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.83E-08mmHg at 25°C
• Melting Point: 258-259 °C
• Boiling Point: 426.7°Cat760mmHg
• PKA: 1.16±0.10(Predicted)
• Flash Point: 211.9°C
• PSA: 70.42000
• Density: 1.48g/cm³
• LogP: 1.63860
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

NLT 98% ^*data from raw suppliers

8-Hydroxyquinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C(=C1)O)C(=O)O

Technology Process of 8-Hydroxyquinoline-4-carboxylic acid

There total 3 articles about 8-Hydroxyquinoline-4-carboxylic 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: 73.0%

8-sulfoquinoline-4-carboxylic acid (500534-95-2) → 8-hydroxyquinoline-4-carboxylic acid (55698-67-4)

Guidance literature:

8-sulfoquinoline-4-carboxylic acid; With potassium hydroxide; In water;

at 300 ℃;

DOI:10.1039/c5cc06095h

Reference yield:

→ 8-hydroxyquinoline-4-carboxylic acid (55698-67-4)

Guidance literature:

With potassium hydroxide; durch Verschmelzen;

Reference yield:

4-quinolinic acid (486-74-8) → 8-hydroxyquinoline-4-carboxylic acid (55698-67-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid; sulfur trioxide / 2 h / 200 °C / Sealed tube

2.1: potassium hydroxide / water

2.2: 300 °C

With sulfuric acid; sulfur trioxide; potassium hydroxide; In water;

DOI:10.1039/c5cc06095h

upstream raw materials:

8-sulfoquinoline-4-carboxylic acid

4-quinolinic acid

Downstream raw materials:

methyl 8-hydroxyquinoline-4-carboxylate

8-quinolinol

Refernces