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MilliporeSigma

151637

Isoxazole

99%

Synonym(s):

1,2-Oxazole, 1-Oxa-2-azacyclopentadiene, 2-Azafuran

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5 G

$38.30

25 G

$124.00

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About This Item

Empirical Formula (Hill Notation):
C3H3NO
CAS Number:
288-14-2
Molecular Weight:
69.06
Beilstein/REAXYS Number:
103773
EC Number:
206-018-7
MDL number:
MFCD00003149
UNSPSC Code:
12352100
PubChem Substance ID:
24849154
NACRES:
NA.22

Key Documents

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vapor density

2.4 (vs air)

Quality Level

200

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

SMILES string

c1cnoc1

InChI

1S/C3H3NO/c1-2-4-5-3-1/h1-3H

InChI key

CTAPFRYPJLPFDF-UHFFFAOYSA-N

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1 of 4

This Item
900572636231230138
Isoxazole 99%

Sigma-Aldrich

151637

Isoxazole

Biotinylated isoxazole 95%

Sigma-Aldrich

900572

Biotinylated isoxazole

Isoxazole-5-carbonyl chloride 97%

Sigma-Aldrich

636231

Isoxazole-5-carbonyl chloride

Oxazole 98%

Sigma-Aldrich

230138

Oxazole

assay

99%

assay

95%

assay

97%

assay

98%

Quality Level

200

Quality Level

100

Quality Level

200

Quality Level

100

form

liquid

form

powder or crystals

form

-

form

-

density

1.078 g/mL at 25 °C (lit.)

density

-

density

1.362 g/mL at 25 °C (lit.)

density

1.05 g/mL at 25 °C (lit.)

refractive index

n20/D 1.427 (lit.)

refractive index

-

refractive index

n20/D 1.4980 (lit.)

refractive index

n20/D 1.425 (lit.)

bp

93-95 °C (lit.)

bp

-

bp

167-168 °C (lit.)

bp

69-70 °C (lit.)

General description

Isoxazole are described as inhibitors of acetylcholinesterase (AChE)[1]. Isoxazole ligands bind to and inhibit the Sxc- antiporter[2].

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4377
STBL1602
BCCH4762
BCCF5673
BCCF2945

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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
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, 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.
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