NEF5
isonicotinic acid
CAS: 55-22-1
Molecular Formula: C6H5NO2
NEF5 - Names and Identifiers
NEF5 - Physico-chemical Properties
| Molecular Formula | C6H5NO2 |
| Molar Mass | 123.11 |
| Density | 1,47g/cm |
| Melting Point | ≥300 °C (lit.) |
| Boling Point | 260 °C (15 mmHg) |
| Flash Point | 260°C/15mm |
| Water Solubility | 5.2 g/L (20 ºC) |
| Solubility | Slightly soluble in cold water, more soluble in hot water, almost insoluble in benzene, ether, boiling ethanol. |
| Vapor Presure | 5.56E-07mmHg at 25°C |
| Appearance | White to off-white crystalline solid |
| Color | yellow to tan |
| Merck | 14,5187 |
| BRN | 109599 |
| pKa | 4.96(at 25℃) |
| PH | 3-4 (6g/l, H2O, 20℃)(saturated solution) |
| Storage Condition | no restrictions. |
| Sensitive | Sensitive to light |
| Refractive Index | 1.5423 (estimate) |
| MDL | MFCD00006429 |
| Physical and Chemical Properties | Melting point 310-315°C boiling point 260°C (15 mmHg) water-soluble 5.2g/L (20°C) |
| Use | Used as pharmaceutical intermediates, mainly for the preparation of anti-tuberculosis drugs isoniazid, but also for the synthesis of amide, hydrazide, Ester Derivatives |
NEF5 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | NS1103000 |
| TSCA | Yes |
| HS Code | 29333999 |
| Toxicity | LD50 orally in Rabbit: 5000 mg/kg |
NEF5 - Nature
Open Data Verified Data
crystals in water are white and odorless crystals. The melting point was 305-307 °c. 260 C (2kPa) sublimation. Slightly soluble in water, saturated aqueous solution at 20 °c with pH 3.6.
Last Update：2025-06-10 22:55:16
NEF5 - Preparation Method
Open Data Verified Data
prepared by continuous oxidation in a fluidized bed using 4-methylpyridine as a raw material and vanadium pentoxide as a catalyst.
Last Update：2022-01-01 10:53:17
NEF5 - Introduction
No smell. Can sublimate (260 ℃,2 · 00kPa). Saturated aqueous solution pH3 · 6.
Last Update：2022-10-16 17:26:14
NEF5 - Application
Open Data Verified Data
It is mainly used for the preparation of isoniazid (ramipril). It can also be used for the synthesis of amide, hydrazide, Ester and other derivatives.
Last Update：2025-08-19 16:24:40
NEF5 - Safety
Open Data Verified Data
- low toxicity, rats oral LD50 5000mg/kg, mice oral LD50 3123mg/kg.
- the use of clean iron drum packaging, storage in a cool, ventilated place. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:53:17
NEF5 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | isonicotinic acid is a widely used intermediate, mainly used as a raw material for first-line anti-tuberculosis drugs such as isoniazid (ramifen), terfenadine and isonicotinate, and can also be used as anti-corrosion agents, electroplating additives, photosensitive resin stabilizers, polyvinyl chloride heat stabilizers and non-ferrous metal flotation reagents. Isoniazid can be prepared by condensing isonicotinic acid with hydrazine hydrate and melting and dehydration. Isoniazid has a good antibacterial effect on Mycobacterium tuberculosis, with good curative effect, small dosage and relatively low toxicity. It is used for the advanced stage, dissolution and dissemination stage, and absorption improvement stage of various types of tuberculosis. It can also be used for tuberculous meningitis and other extrapulmonary tuberculosis. The preparations include tablets and injections. Used as a pharmaceutical intermediate, mainly used to make the anti-tuberculosis drug isoniazid, and also used to synthesize amide, hydrazide, esters and other derivatives Isonicotinic acid, also known as 4-carboxylate pyridine, is a plant growth regulator The intermediate of anti-inverted amine is also the intermediate of isoniazid for medicine and anti-tuberculosis. |
| synthesis | isoniotinic acid can be used as a pharmaceutical intermediate. there are many ways to synthesize isoniotinic acid, mainly including oxidation, hydrolysis and biocatalysis. The oxidation method is divided into potassium permanganate oxidation method, nitric acid oxidation method, catalytic air oxidation method, ozone oxidation method and other traditional chemical oxidation method and electrochemical oxidation method. |
| detection method | a detection method for detecting isonicotinic acid includes the following steps: step (1), at pH 5.6~6.0, cyanide and chloramine T are reacted in water to obtain mixed solution a; wherein, the mass ratio of CN-to chloramine T is 0.0025:1~0.02:1; step (2), the mixed liquid A, barbituric acid and the solution to be tested prepared in step (1) are mixed and reacted. The mass ratio of barbituric acid to chloramine T in step (1) is 0.5:1~2:1; The color change of the reaction liquid indicates that the solution to be tested contains isonicotinic acid. |
| production method | its preparation method is to heat to 260 ℃ in an oxidation fluidized bed reaction tower, activate the catalyst vanadium pentoxide for 12h, preheat and raise the temperature to 255~260 ℃, then add 4-methylpyridine, mix with steam and air after preheating gasification into the oxidation tower, and the isotinic acid powder generated by the reaction is collected by cyclone separation, the reaction tail gas is recycled by condensing with dilute hydrochloric acid to recover unreacted 4-methylpyridine and entrained isotinic acid. It is prepared by continuous oxidation with 4-methylpyridine as raw material and vanadium pentoxide as catalyst. The purity of industrial isoniotinic acid is above 95%, and the yield of the above method is 70-75%. Consumption of 1070kg of 4-methylpyridine per ton of product. |
Last Update：2024-04-09 20:52:54
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