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Isoxazole-5-carboxylic acid Structure

Isoxazole-5-carboxylic acid

  • Product NameIsoxazole-5-carboxylic acid
  • CAS21169-71-1
  • CBNumberCB1758728
  • MFC4H3NO3
  • MW113.07
  • MDL NumberMFCD00156151
  • MOL File21169-71-1.mol

Chemical Properties

Melting point: 144-148 °C(lit.)
Boiling point: 211.74°C (rough estimate)
Density  1.5808 (rough estimate)
refractive index  1.4543 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
form  Powder
pka 2.29±0.10(Predicted)
color  Slightly yellow
Water Solubility  Slightly soluble in water.
Sensitive  Moisture Sensitive
InChI InChI=1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
InChIKey MIIQJAUWHSUTIT-UHFFFAOYSA-N
SMILES O1C(C(O)=O)=CC=N1
CAS DataBase Reference 21169-71-1(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25-25-24-36-26
WGK Germany  3
HazardClass  IRRITANT
HS Code  29349990
Storage Class 13 - Non Combustible Solids
NFPA 704:
1
0 0

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Isoxazole-5-carboxylic acid Chemical Properties,Usage,Production

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