CAS Number55-22-1
SynonymsEINECS 200-228-2; 4-Pyridinecarboxylic acid; g-Pyridinecarboxylic Acid; Pyridine-4-carboxylic acid; MFCD00006429; g-picolinic acid; Isonicotinic acid
Molecular FormulaC6H5NO2
Molecular Weight123.109
Purity98%
Density1.3±0.1 g/cm3
Boiling Point396.0±15.0 °C at 760 mmHg
Melting Point≥300 °C(lit.)
AppearanceWhite to off-white crystalline solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 55-22-1 |
| Catalog No. | 2A-9008070 |
| Chinese Name | 异烟酸 |
| Synonyms | EINECS 200-228-2; 4-Pyridinecarboxylic acid; g-Pyridinecarboxylic Acid; Pyridine-4-carboxylic acid; MFCD00006429; g-picolinic acid; Isonicotinic acid |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.109 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 396.0±15.0 °C at 760 mmHg |
| Melting Point | ≥300 °C(lit.) |
| Appearance | White to off-white crystalline solid |
| Water Solubility | 5.2 g/L (20 ºC) |
| Storage Condition | This product should be sealed and stored in a dry |
| Application | Isonicotinic acid is a metabolite of Isoniazid. Isoniazid is converted to isonicotinic acid via hydrazinolysis, and the bioconversion of isoniazid to isonicotinic acid can also be catalyzed by cytochr |
| HTC | 2933399090 |
| SMILES | OC(=O)c1ccncc1 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) |
| InChI Key | InChIKey=TWBYWOBDOCUKOW-UHFFFAOYSA-N |
| Hazard Symbols | Transport |
| MSDS | msds/8070_1_55_22_1.pdf |
| Bioactivity | Isonicotinic acid is a metabolite of Isoniazid. Isoniazid is converted to Isonicotinic acid by hydrazinolysis, with the Isoniazid to Isonicotinic acid biotransformation also to be catalyzed by cytochrome P450 (CYP) enzymes, e.g., CYP2C[1]. Related Catalog Research Areas >> Others References [1]. Seng KY, et al. Population pharmacokinetic analysis of isoniazid, acetylisoniazid, and isonicotinic acid in healthy volunteers. Antimicrob Agents Chemother. 2015 Nov;59(11):6791-9. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 396.0±15.0 °C at 760 mmHg Melting Point ≥300 °C(lit.) Molecular Formula C6H5NO2 Molecular Weight 123.109 Flash Point 193.3±20.4 °C Exact Mass 123.032028 PSA 50.19000 LogP 0.54 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.571 Storage condition -20°C Water Solubility 5.2 g/L (20 ºC) |
| Use of | Properties Name isonicotinic acid Synonym More Synonyms Isonicotinic acid Biological Activity Related Catalog Research Areas >> Others References [1]. Seng KY, et al. Population pharmacokinetic analysis of isoniazid, acetylisoniazid, and isonicotinic acid in healthy volunteers. Antimicrob Agents Chemother. 2015 Nov;59(11):6791-9. Chemical & Physical Properties Molecular Formula C6H5NO2 Exact Mass 123.032028 PSA 50.19000 Index of Refraction 1.571 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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