6-Nitronicotinic acid

Base Information

• Chemical Name: 6-Nitronicotinic acid
• CAS No.: 33225-73-9
• Molecular Formula: C6H4N2O4
• Molecular Weight: 168.109
• Hs Code.: 2933399090
• European Community (EC) Number: 813-150-4
• NSC Number: 170849
• DSSTox Substance ID: DTXSID10305472
• Nikkaji Number: J1.897.134H
• Wikidata: Q72495061
• Mol file: 33225-73-9.mol

Synonyms:6-Nitronicotinic acid;33225-73-9;2-Nitropyridine-5-carboxylic acid;6-nitropyridine-3-carboxylic acid;2-NITROPYRIDINE-5-CARBOXYLICACID;MLS003106747;MFCD04114183;3-Pyridinecarboxylicacid, 6-nitro-;3-Pyridinecarboxylic acid, 6-nitro-;NSC170849;SCHEMBL8827763;AMY1730;DTXSID10305472;6-nitro-3-pyridinecarboxylic acid;2-Nitro-5-pyridinecarboxylic acid;BCP10975;AKOS006292390;AC-6154;CS-W003159;NSC 170849;NSC-170849;DS-10596;SMR001821637;SY022752;FT-0648952;EN300-119549;A821675;J-518962

Chemical Property of 6-Nitronicotinic acid

Chemical Property:

• Melting Point: 179-180 °C
• Boiling Point: 434.9 °C at 760mmHg
• PKA: 2.69±0.10(Predicted)
• Flash Point: 216.8 °C
• PSA: 96.01000
• Density: 1.57 g/cm³
• LogP: 1.21120
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.5
• 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:

99.5% ^*data from raw suppliers

2-Nitropyridine-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)O)[N+](=O)[O-]

Technology Process of 6-Nitronicotinic acid

There total 3 articles about 6-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:

5-methyl-2-nitropyridine (1074-38-0) → 6-nitronicotinic acid (33225-73-9)

Guidance literature:

With potassium permanganate; water;

DOI:10.1021/ja01641a016 DOI:10.1021/jo01089a615

Reference yield:

6-aminonicotinic acid (3167-49-5) → 6-nitronicotinic acid (33225-73-9)

Guidance literature:

With sulfuric acid; dihydrogen peroxide;

Reference yield:

→ 6-nitronicotinic acid (33225-73-9)

Guidance literature:

2-Amino-5-methylpyridin;

DOI:10.1021/jo00797a037

upstream raw materials:

5-methyl-2-nitropyridine

6-aminonicotinic acid

Downstream raw materials:

6-nitronicotinoyl chloride