6-Chloronicotinic acid

Base Information

• Chemical Name: 6-Chloronicotinic acid
• CAS No.: 5326-23-8
• Molecular Formula: C6H4ClNO2
• Molecular Weight: 157.556
• Hs Code.: 2933.39
• European Community (EC) Number: 226-201-5
• NSC Number: 277
• UNII: 99V0U0120A
• DSSTox Substance ID: DTXSID6063775
• Nikkaji Number: J212G
• Wikidata: Q26841281
• Pharos Ligand ID: NS226UD1GN77
• Metabolomics Workbench ID: 87147
• ChEMBL ID: CHEMBL1723657
• Mol file: 5326-23-8.mol

Synonyms:6-Chloro-3-pyridinecarboxylic acid;6-chloropyridine-3-carboxylate;6-chloropyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 6-chloro-;6-Cholre Nicotinic Acid;6-Chloro nicotinic acid;

Chemical Property of 6-Chloronicotinic acid

Chemical Property:

• Appearance/Colour: Off-white to beige crystalline powder
• Vapor Pressure: 6.84E-05mmHg at 25°C
• Melting Point: 190 °C (dec.)(lit.)
• Refractive Index: 1.5870 (estimate)
• Boiling Point: 330.1 °C at 760 mmHg
• PKA: 3.24±0.10(Predicted)
• Flash Point: 153.4 °C
• PSA: 50.19000
• Density: 1.47 g/cm³
• LogP: 1.43320
• Storage Temp.: Store below +30°C.
• Solubility.: deionized water: soluble
• Water Solubility.: Soluble in water (2 mg/ml at 20°C), ethanol, methanol, DMSO, and slightly soluble in chloroform.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.9930561
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

6-Chloronicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)O)Cl
• Uses: 6-Chloronicotinic acid is used as building block for different chemical synthesis. Product Data Sheet 6-Chloropyridine-3-carboxylic acid (6-chloronicotinic acid/6-CNA) has been used to study its photolytic and photocatalytic degradation. The product has been used as a media component during the isolation of 6-CNA degrading bacterial strain from imidacloprid-exposed soil samples. 6-Chloropyridine-3-carboxylic acid (6-chloronicotinic acid/6-CNA) has been used to study its photolytic and photocatalytic degradation. 6-CNA is a degradation product of neonicotinoid insecticides imidacloprid and acetamiprid and is known to appear in different environmental matrices. The product has been used as a media component during the isolation of 6-CNA degrading bacterial strain from imidacloprid-exposed soil samples.

Technology Process of 6-Chloronicotinic acid

There total 23 articles about 6-Chloronicotinic 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: 98.0%

6-hydroxy-3-pyridinecarboxylic acid (5006-66-6) → 6-Chloro-3-pyridinecarboxylic acid (5326-23-8)

Guidance literature:

With hydrogenchloride; pH=2; pH-value;

Reference yield: 94.0%

2-chloro-5-(Trichloromethyl)-pyridine (69045-78-9) → 6-Chloro-3-pyridinecarboxylic acid (5326-23-8)

Guidance literature:

In sulfuric acid;

Reference yield: 79.7%

2-chloro-5-methylpyridine (18368-64-4) → 6-Chloro-3-pyridinecarboxylic acid (5326-23-8)

Guidance literature:

With oxygen; cobalt(II) acetate; In chlorobenzene; at 80 ℃; for 4h; Temperature;

upstream raw materials:

6-chloronicotinonitrile

6-hydroxy-3-pyridinecarboxylic acid

1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

6-nitronicotinic acid

Downstream raw materials:

6-ethoxy-3-pyridinecarboxylic acid

6-(dimethylamino)-3-pyridinecarboxylic acid

6-anilinonicotinic acid

1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

Refernces

• 1、 -. "Green synthesis method of aromatic acid". Paragraph 0048-0122; 0251-0255; 0271-0272. . Retrieved 2020/05/01.
• 2、 Farce, Amaury,Ghinet, Alina,Homerin, Germain,Nica, Adrian Sorin,Dubois, Jo?lle. "Ultrasounds-mediated 10-seconds synthesis of chalcones as potential farnesyltransferase inhibitors". supporting information. . Retrieved 2020/04/10.