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Isoxazole Structure

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  n20/D 1.427(lit.)
Flash point 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

MSDS

Usage And Synthesis

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