4-Nitronicotinic acid

Base Information

• Chemical Name: 4-Nitronicotinic acid
• CAS No.: 100367-58-6
• Molecular Formula: C₆H₄N₂O₄
• Molecular Weight: 168.109
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50376585
• Wikidata: Q82165471
• Mol file: 100367-58-6.mol

Synonyms:4-Nitronicotinic acid;100367-58-6;4-nitropyridine-3-carboxylic Acid;4-nitro-3-pyridinecarboxylic acid;3-Pyridinecarboxylic acid, 4-nitro-;3-Pyridinecarboxylicacid, 4-nitro-;4-Nitronicotinicacid;SCHEMBL6221966;DTXSID50376585;AKOS006293183;AB18031;GS-5053;FT-0645690;A800112

Chemical Property of 4-Nitronicotinic acid

Chemical Property:

• Vapor Pressure: 1.3E-06mmHg at 25°C
• Refractive Index: 1.624
• Boiling Point: 384.9°Cat760mmHg
• Flash Point: 186.6°C
• PSA: 96.01000
• Density: 1.57g/cm³
• LogP: 1.21120
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 168.01710661
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

4-Nitronicotinicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1[N+](=O)[O-])C(=O)O

Technology Process of 4-Nitronicotinic acid

There total 3 articles about 4-Nitronicotinic 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:

4-nitro-3-methylpyridine (1678-53-1) → 4-Nitro-nicotinsaeure (100367-58-6)

Guidance literature:

With potassium permanganate; water;

DOI:10.1021/ja01641a016

Reference yield:

4-amino-3-methylpyridine (1990-90-5,953018-16-1) → 4-Nitro-nicotinsaeure (100367-58-6)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid; aqueous hydrogen peroxide; sulfur trioxide

2: KMnO₄; H₂O

With potassium permanganate; sulfuric acid; sulfur trioxide; water; dihydrogen peroxide;

DOI:10.1021/ja01641a016

Reference yield:

→ 4-Nitro-nicotinsaeure (100367-58-6)

Guidance literature:

4-Nitro-3-picolin, KMnO4, W., (Wasserbad), Oxidation;

DOI:10.1021/jo01060a029

upstream raw materials:

4-nitro-3-methylpyridine

4-amino-3-methylpyridine