3-Phenyl-5-isoxazolecarboxylic acid Structure

3-Phenyl-5-isoxazolecarboxylic acid

Chemical Properties

Melting point 159-163 °C(lit.)
Boiling point 200°C
Density  1.320±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 2.23±0.10(Predicted)
color  White to Yellow to Green
Sensitive  Moisture & Light Sensitive
InChI 1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey YGTFDJRCCBKLDM-UHFFFAOYSA-N
SMILES OC(=O)c1cc(no1)-c2ccccc2
CAS DataBase Reference 14442-12-7(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
WGK Germany  3
HazardClass  IRRITANT
HS Code  2934999090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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