6-Amino-5-nitronicotinic acid

Base Information

• Chemical Name: 6-Amino-5-nitronicotinic acid
• CAS No.: 89488-06-2
• Molecular Formula: C₆H₅N₃O₄
• Molecular Weight: 183.123
• Hs Code.: 2933399090
• NSC Number: 115867
• DSSTox Substance ID: DTXSID40297412
• Nikkaji Number: J36.257C
• Wikidata: Q82038491
• Mol file: 89488-06-2.mol

Synonyms:6-amino-5-nitronicotinic acid;89488-06-2;6-amino-5-nitropyridine-3-carboxylic acid;6-Amino-5-nitronicotinicacid;SCHEMBL712818;5-nitro-6-aminonicotinic acid;6-Amino-5-nitro-nicotinic acid;DTXSID40297412;JDDGLUVPISQPKN-UHFFFAOYSA-N;AMY13977;NSC115867;AKOS006306375;NSC-115867;SB52549;BS-25783;3-Pyridinecarboxylicacid,6-amino-5-nitro-;6-amino-5-nitro-pyridine-3-carboxylic acid;CS-0157386;FT-0688476;D94867;EN300-121710;A843208;Z1198311195

Chemical Property of 6-Amino-5-nitronicotinic acid

Chemical Property:

• Vapor Pressure: 2.28E-08mmHg at 25°C
• Melting Point: 300-301 °C (decomp)
• Boiling Point: 435.9°C at 760 mmHg
• PKA: 3.46±0.10(Predicted)
• Flash Point: 217.4°C
• PSA: 122.03000
• Density: 1.675g/cm³
• LogP: 1.37460
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 183.02800565
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99%min ^*data from raw suppliers

6-Amino-5-nitropyridine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Amino-5-nitronicotinic acid

There total 3 articles about 6-Amino-5-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:

6-aminonicotinic acid (3167-49-5) → 5-nitro-6-aminonicotinic acid (89488-06-2)

Guidance literature:

With sulfuric acid; nitric acid; Erwaermen des Reaktionsprodukts mit konz. Schwefelsaeure auf 100grad;

Reference yield:

→ 5-nitro-6-aminonicotinic acid (89488-06-2)

Guidance literature:

With sulfuric acid; at 105 ℃;

Reference yield:

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) → 5-nitro-6-aminonicotinic acid (89488-06-2)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated ammonia / 170 °C

2: HNO₃+H₂SO₄ / Erwaermen des Reaktionsprodukts mit konz. Schwefelsaeure auf 100grad

With sulfuric acid; ammonia; nitric acid;

upstream raw materials:

6-aminonicotinic acid

6-Chloro-3-pyridinecarboxylic acid

Downstream raw materials:

ethyl 6-amino-5-(2,4-dichlorobenzylamino)nicotinate

5,6-diamino-nicotinic acid ethyl ester

methyl 2-amino-3-nitropyridine-5-carboxylate

5,6-diamino-nicotinic acid

Refernces

• 1、 -. "Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation". . . Retrieved 2008/06/13.