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2-Chloro-5-nitronicotinic acid

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2-Chloro-5-nitronicotinic acid Basic information
Application
Product Name:2-Chloro-5-nitronicotinic acid
Synonyms:2-Chloro-5-nitro-3-pyridinecarboxylic acid;2-CHLORO-5-NITROPYRIDINE-3-CARBOXYLIC ACID;2-CHLORO-5-NITRONICOTINIC ACID;2-Chloro-5-nitronicoinic acid;2-Chloro-5-nitropyridine-3-carboxylic acid, 3-Carboxy-2-chloro-5-nitropyridine;3-Pyridinecarboxylic acid, 2-chloro-5-nitro-;2-Chloro-5-nitronicotinicaci;2-Chloro-5-nitropyridin-3-carboxylic acid
CAS:42959-38-6
MF:C6H3ClN2O4
MW:202.55
EINECS:214-589-6
Product Categories:pyridine series;pharmacetical;Carboxylic Acids;Carboxylic Acids;Boronic Acid;blocks;Carboxes;Pyridines;Pyridine
Mol File:42959-38-6.mol
2-Chloro-5-nitronicotinic acid Structure
2-Chloro-5-nitronicotinic acid Chemical Properties
Melting point 140-143℃
Boiling point 384.8±42.0 °C(Predicted)
density 1.702±0.06 g/cm3(Predicted)
storage temp. Store at room temperature
form Solid
pka1.57±0.10(Predicted)
color White to yellow
Sensitive Moisture Sensitive
InChIInChI=1S/C6H3ClN2O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H,10,11)
InChIKeyWOFZRBCITDVRON-UHFFFAOYSA-N
SMILESC1(Cl)=NC=C([N+]([O-])=O)C=C1C(O)=O
CAS DataBase Reference42959-38-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 22
HazardClass IRRITANT
HS Code 2933399990
MSDS Information
2-Chloro-5-nitronicotinic acid Usage And Synthesis
Application2-Chloro-5-nitronicotinic acid is a chemical intermediate used in the synthesis of pesticides and pharmaceuticals. For example, Rhône-Poulenc Agribusiness in France uses it to synthesize novel herbicides.
Synthesis 2-Hydroxy-5-nitro-nicotinic acid (2.7 mmol) in a mixture of NJV- dimethylformamide (2.7 mmol) and thionyl chloride (5 ml) was heated at 80 0C for 1 h. The mixture was allowed to cool and concentrated in a vacuum. To the resulting residue, ice water (20 ml) was added, and with vigorous stirring, a precipitate formed. The precipitate was filtered off and dried in a vacuum oven to give a white solid 2-Chloro-5-nitronicotinic acid (68 percent).
References[1] Journal of Medicinal Chemistry, 1992, vol. 35, # 10, p. 1887 - 1897
[2] Beilstein Journal of Organic Chemistry, 2009, vol. 5,
[3] Patent: EP904262, 2004, B1. Location in patent: Page 244
[4] Patent: WO2008/46135, 2008, A1. Location in patent: Page/Page column 42-43
[5] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 11, p. 1151 - 1154
Tag:2-Chloro-5-nitronicotinic acid(42959-38-6) Related Product Information
5-Nitronicotinic acid EPA 1-Chloro-3-nitrobenzene Ascoric Acid 2-Nitrochlorobenzene Difluorochloromethane Nitrobenzene TRITON 2-Chloro-5-nitropyridine Methyl-6-chloro-5-nitronicotinate 4-Chloronitrobenzene 2-Chloro-3-nitro-5-pyridinecarboxylic acid 2-Chloro-5-nitronicotinic acid methyl ester 2-Chloro-5-nitronicotinic acid ethyl ester 4-Nitrobenzyl chloride 2-Chloro-5-nitronicotinic acid RARECHEM AL BO 1640 RARECHEM AL BO 1724