Isoxazole #CAS288-14-2
Isoxazole, an important class of heterocycles, is a five membered heterocyclic compound that exhibits various pharmacological actions. It is present in some natural products such as ibotenic acid and is also used as a foundation for several drugs such as the COX-2 inhibitor valdecoxib and anti-inflammatory drugs. Isoxazoles are largely applied in the area of pharmaceuticals and therapeutics, including insecticidal, antibacterial, antibiotic, antitumour, antifungal, antituberculosis, anticancer and ulcerogenic. Besides, it has a great effect on reducing blood glucose, eliminating pain, resisting inflammation, killing harmful bacteria, controlling and reducing the risk of HIV.
A colorless liquid resembling pyridine. It is soluble in water at room temperature up to six times its volume.Natural insecticide.
Isoxazole(288-14-2) are described as inhibitors of acetylcholinesterase (AChE).
Application of Isoxazole:Isoxazole ligands bind to and inhibit the Sxc- antiporter.
| Isoxazole Chemical Properties |
| Melting point | -67.1°C |
| Boiling point | 93-95 °C(lit.) |
| density | 1.078 g/mL at 25 °C(lit.) |
| vapor density | 2.4 (vs air) |
| refractive index | n |
| Fp | 48 °F |
| storage temp. | 2-8°C |
| solubility | 167g/l |
| pka | -2.0(at 25℃) |
| form | clear liquid |
| color | Colorless to Light yellow |
| BRN | 103773 |
| Henry's Law Constant | 4.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | 1S/C3H3NO/c1-2-4-5-3-1/h1-3H |
| InChIKey | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
| SMILES | c1cnoc1 |
| CAS DataBase Reference | 288-14-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Isoxazole(288-14-2) |
| EPA Substance Registry System | Isoxazole (288-14-2) |
| Safety Information |
| Hazard Codes | F,Xi |
| Risk Statements | 11 |
| Safety Statements | 16-23/33-33-29-7/9 |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| F | 10 |
| Hazard Note | Highly Flammable |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29349990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 2 |
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