4-Hydroxynicotinic acid

Base Information

• Chemical Name: 4-Hydroxynicotinic acid
• CAS No.: 609-70-1
• Molecular Formula: C6H5NO3
• Molecular Weight: 139.111
• Hs Code.: 29333990
• European Community (EC) Number: 210-197-7
• DSSTox Substance ID: DTXSID80976370
• Nikkaji Number: J94.851I
• Wikidata: Q63392312
• Metabolomics Workbench ID: 123712
• ChEMBL ID: CHEMBL1610346
• Mol file: 609-70-1.mol

Synonyms:4-hydroxy-3-pyridinecarboxylic acid;4-hydroxynicotinic acid;4H3P cpd

Chemical Property of 4-Hydroxynicotinic acid

Chemical Property:

• Vapor Pressure: 0.000113mmHg at 25°C
• Melting Point: 256-259℃
• Refractive Index: 1.579
• Boiling Point: 312.7 °C at 760 mmHg
• PKA: 0.19±0.10(Predicted)
• Flash Point: 142.9 °C
• PSA: 70.42000
• Density: 1.451 g/cm³
• LogP: 0.48540
• Storage Temp.: Keep Cold
• Solubility.: Soluble in 0.1 M NaOH: 0.1 g/mL.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 139.026943022
• Heavy Atom Count: 10
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

4-Hydroxynicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC=C(C1=O)C(=O)O
• Uses: 4-Hydroxynicotinic acid, is used as a chemical synthesis reagent. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 4-Hydroxynicotinic acid

There total 24 articles about 4-Hydroxynicotinic 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: 80.0%

4-chloronicotinic acid (10177-29-4) → 4-hydroxynicotinic acid (609-70-1)

Guidance literature:

With water; Heating;

Reference yield: 75.0%

4-methoxypyridine-3-carbonitrile (74133-20-3) → 4-hydroxynicotinic acid (609-70-1)

Guidance literature:

With hydrogenchloride; for 6.5h; Heating;

DOI:10.1002/ardp.19853180602

Reference yield: 70.0%

3-(trinitromethyl)-pyridin-4-ol (92404-84-7) → 4-hydroxynicotinic acid (609-70-1)

Guidance literature:

In xylene; at 135 - 140 ℃; for 0.0833333h;

upstream raw materials:

4-methoxypyridine-3-carbonitrile

3-(trinitromethyl)-pyridin-4-ol

4-Ethoxypyridin-3-carbonitril

pyridin-4-ol

Downstream raw materials:

methyl 4-hydroxypyridine-3-carboxylate

4-Hydroxy-nicotinsaeure-ethylester

4-chloronicotinic acid

4-hydroxy-5-nitronicotinic acid