Name | Nicotinic acid N-oxide |
Synonyms | Oxiniacic acid Nicotinic N-oxide TIMTEC-BB SBB004182 NicotinicacidN-oxide N-oxidenicotinic acid Nicotinic Acid N-Oxide Nicotinic acid N-oxide 3-carboxypyridine 1-oxide pyridine-3-carboxylate 1-oxide Pyridine-3-carboxylic acid N-oxide pyridine-3-carboxylic acid 1-oxide 1-oxidopyridin-1-ium-3-carboxylic acid Oxiniacic acid~Pyridine-3-carboxylic acid N-oxide |
CAS | 2398-81-4 |
EINECS | 219-265-0 |
InChI | InChI=1/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)/p-1 |
Molecular Formula | C6H5NO3 |
Molar Mass | 139.11 |
Density | 1.4429 (rough estimate) |
Melting Point | 254-255°C (dec.)(lit.) |
Boling Point | 255.04°C (rough estimate) |
Flash Point | 237.4°C |
Solubility | benzene: insoluble |
Vapor Presure | 1.34E-09mmHg at 25°C |
Appearance | Fine Crystalline Powder |
Color | Beige |
Merck | 14,6941 |
BRN | 115860 |
pKa | 3.19±0.10(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | 1.5423 (estimate) |
MDL | MFCD00006201 |
Risk Codes | R20/21 - Harmful by inhalation and in contact with skin. R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
HS Code | 29333999 |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
introduction | oxynicotinic acid is also called N-oxidized nicotinic acid. Oxynicotinic acid can be used to prepare 2-chloronicotinic acid, 2-chloronicinic acid is mainly used for the synthesis of new high-efficiency herbicides Nicosulfuron (Nicosulfuron) and Pyroflurazide (Diflufenican), a new systemic fungicide, pyramidamide (Boscalid), antibacterial agent and anticancer drug intermediate 2-chloropyridine-3-carbonyl-nitrogen-containing heterocyclic compounds, and HIV reverse transcriptase inhibitor nevirapine (Nevirapine) and other pesticides and pharmaceutical intermediates. |
preparation | add 100ml of water, 100g of nicotinic acid and 0.66g of molybdate acid to the three-mouth flask in turn, raise the temperature to 92 ℃, start to add 104ml of hydrogen peroxide dropwise after the temperature is stable, add it dropwise for 3 hours at a constant speed, keep the temperature at 95 ℃ for 3 hours after dropping, TLC detects the nicotinic acid content <0.5%, and drops to 0-5 ℃ after the heat preservation is finished, stirring for 0.5h, filtering, recycling of mother liquor to the next batch of oxidation reaction, vacuum drying of filter cake at 60 ℃ to obtain white crystalline powder N-oxidized nicotinic acid 108.7g, yield 97.4%[HPLC content 99.8%, moisture 0.22%,mp261.4-261.6 ℃ (document 260-262 ℃)]. |
application | oxynicotinic acid is a carboxylic acid organic substance, which can be used as a pharmaceutical raw material. |
biological activity | Nicotinic acid N-oxide can be used for the study of hyperlipidemia. |