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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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Afnan A Matti et al.
Bioorganic & medicinal chemistry letters, 23(21), 5931-5935 (2013-09-18)
Microwave accelerated reaction system (MARS) technology provided a good method to obtain selective and open isoxazole ligands that bind to and inhibit the Sxc- antiporter. The MARS provided numerous advantages, including: shorter time, better yield and higher purity of the
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
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
Mingxing Wang et al.
Journal of molecular graphics & modelling, 84, 18-28 (2018-05-25)
Studies on human genetics have implicated the voltage-gated sodium channel Nav1.7 as an appealing target for the treatment of pain. In this study, we put forward a ligand-based pharmacophore for the first time, which was generated by a set of
Ilaria Lampronti et al.
Oncology letters, 20(5), 151-151 (2020-09-17)
In order to develop potential anticancer agents stimulating apoptosis, novel 3,4-isoxazolediamide and 4,5,6,7-tetrahydro-isoxazolo-[4,5-c]-pyridine derivatives have been synthetized. The original structures of geldanamycin and radicicol, which are known natural heat shock protein (HSP) inhibitors, were deeply modified because both of them
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