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Isoxazole Structure

Isoxazole

  • Product NameIsoxazole
  • CAS288-14-2
  • CBNumberCB3485864
  • MFC3H3NO
  • MW69.06
  • EINECS206-018-7
  • MDL NumberMFCD00003149
  • MOL File288-14-2.mol

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

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Danger
Hazard statements  H225
Precautionary statements  P210
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
Limited Quantities 1.0 L (0.3 gallon) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
NFPA 704:
3
1 0

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