151637
Isoxazole
99%
Synonym(s):
1,2-Oxazole, 1-Oxa-2-azacyclopentadiene, 2-Azafuran
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About This Item
Empirical Formula (Hill Notation):
C3H3NO
CAS Number:
Molecular Weight:
69.06
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-018-7
Beilstein/REAXYS Number:
103773
MDL number:
Assay:
99%
Form:
liquid
InChI key
CTAPFRYPJLPFDF-UHFFFAOYSA-N
InChI
1S/C3H3NO/c1-2-4-5-3-1/h1-3H
SMILES string
c1cnoc1
vapor density
2.4 (vs air)
assay
99%
form
liquid
refractive index
n20/D 1.427 (lit.)
bp
93-95 °C (lit.)
density
1.078 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Quality Level
Related Categories
General description
Isoxazole are described as inhibitors of acetylcholinesterase (AChE). Isoxazole ligands bind to and inhibit the Sxc- antiporter.
signalword
Danger
hcodes
pcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
53.6 °F - closed cup
flash_point_c
12 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Adam A Wallace et al.
The journal of physical chemistry. A, 125(1), 317-326 (2020-12-29)
Electron capture by the σ* LUMO of isoxazole triggers the dissociation of the O-N bond and the opening of the ring. Photodetachment of the resulting anion accesses a neutral structure, in which the O· and ·N bond fragments interact through
Margarita Gutiérrez et al.
The Journal of pharmacy and pharmacology, 65(12), 1796-1804 (2013-11-05)
Inhibition of acetylcholinesterase (AChE) is a common treatment for early stages of Alzheimer's disease. In this study, nine isoxazoles derivatives were tested for their in-vitro AChE activity. The molecular docking showed the interaction of the compounds with the active site.
Marina N Semenova et al.
ACS combinatorial science, 20(12), 700-721 (2018-11-20)
A series of both novel and reported combretastatin analogues, including diarylpyrazoles, -isoxazoles, -1,2,3-triazoles, and -pyrroles, were synthesized via improved protocols to evaluate their antimitotic antitubulin activity using in vivo sea urchin embryo assay and a panel of human cancer cells.
Adam A Wallace et al.
The journal of physical chemistry. A, 124(38), 7768-7775 (2020-08-28)
We report a photoelectron imaging study of gas-phase deprotonation of isoxazole in which spectroscopic data are compared to the results of electronic structure calculations for the anion products corresponding to each of three possible deprotonation sites. The observed photoelectron spectra
Nikolai V Rostovskii et al.
The Journal of organic chemistry, 82(1), 256-268 (2016-12-16)
4-Aminopyrrole-3-carboxylates and pyrazine-2-carboxylates were synthesized from 5-alkoxyisoxazoles and 1-sulfonyl-1,2,3-triazoles by tuning the Rh(II) catalyst and the reaction conditions. The reaction in chloroform at 100 °C under Rh
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