5-Chloro-3-nitropyridine-2-carboxylic acid

Base Information

• Chemical Name: 5-Chloro-3-nitropyridine-2-carboxylic acid
• CAS No.: 899423-94-0
• Molecular Formula: C₆H₃ClN₂O₄
• Molecular Weight: 202.554
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10696190
• Wikidata: Q82625691
• Mol file: 899423-94-0.mol

Synonyms:899423-94-0;5-chloro-3-nitropyridine-2-carboxylic acid;5-Chloro-3-nitropicolinic acid;5-CHLORO-3-NITRO-PYRIDINE-2-CARBOXYLIC ACID;5-CHLORO-3-NITROPYRIDINE-2-CARBOXYLICACID;SCHEMBL307562;DTXSID10696190;HKPFKOHEDBKQGE-UHFFFAOYSA-N;AMY39151;ZKB42394;MFCD08061312;AKOS016012876;SB39717;CS-0319166;FT-0764439;E87030;EN300-4266692

Chemical Property of 5-Chloro-3-nitropyridine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.01E-06mmHg at 25°C
• Boiling Point: 366.8oC at 760 mmHg
• PKA: 0.94±0.34(Predicted)
• Flash Point: 175.6oC
• PSA: 96.01000
• Density: 1.702g/cm3
• LogP: 1.86460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.9781343
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-3-nitropyridine-2-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-])C(=O)O)Cl

Technology Process of 5-Chloro-3-nitropyridine-2-carboxylic acid

There total 3 articles about 5-Chloro-3-nitropyridine-2-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: 100.0%

5-chloro-2-cyano-3-nitropyridine (181123-11-5) → 5-chloro-3-nitro-pyridine-2-carboxylic acid (899423-94-0)

Guidance literature:

5-chloro-2-cyano-3-nitropyridine; With sulfuric acid; at 120 ℃; for 1.5h;

With sodium nitrite; In water; at -5 - 20 ℃; for 0.75h;

Reference yield:

4-(5-chloro-3-nitro-pyridin-2-yl)-2-methyl-but-3-yn-2-ol (899423-92-8) → 5-chloro-3-nitro-pyridine-2-carboxylic acid (899423-94-0)

Guidance literature:

4-(5-chloro-3-nitro-pyridin-2-yl)-2-methyl-but-3-yn-2-ol; With potassium permanganate; In water; at 75 - 80 ℃; for 1.25h;

With sodium hydroxide; In water; at 20 ℃; pH=9;

With hydrogenchloride; In water; pH=3 - 4;

Reference yield:

2-bromo-5-chloro-3-nitropyridine (75806-86-9) → 5-chloro-3-nitro-pyridine-2-carboxylic acid (899423-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N-dimethyl-formamide / 1.5 h / 110 °C

2.1: sulfuric acid / 1.5 h / 120 °C

2.2: 0.75 h / -5 - 20 °C

With sulfuric acid; In N,N-dimethyl-formamide;

upstream raw materials:

4-(5-chloro-3-nitro-pyridin-2-yl)-2-methyl-but-3-yn-2-ol

2-bromo-5-chloro-3-nitropyridine

5-chloro-2-cyano-3-nitropyridine

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