21169-71-1

Name ISOXAZOLE-5-CARBOXYLIC ACID
CAS 21169-71-1
Molecular Formula C4H3NO3
MDL Number MFCD00156151
Molecular Weight 113.07
MOL File 21169-71-1.mol
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Chemical Properties

Appearance slightly yellow powder
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 Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S25:Avoid contact with eyes .
S24:Avoid contact with skin .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29349990

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