Isoxazole Structure

Isoxazole

Chemical Properties

Melting point -67.1°C
Boiling point 95 °C (203 °F; 368 K)
Density  1.075 g/ml
vapor density  2.4 (vs air)
refractive index  1.43
Flash point 12 °C
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)
FDA UNII 00SRW0M6PW
NIST Chemistry Reference Isoxazole(288-14-2)
EPA Substance Registry System Isoxazole (288-14-2)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordDanger
Hazard statements H225
Precautionary statements P210
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
NFPA 704:
3
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