1H-Pyrazole-4-carboxaldehyde Structure

1H-Pyrazole-4-carboxaldehyde

Chemical Properties

Melting point 82-83 °C(Solv: cyclohexane (110-82-7))
Boiling point 300.0±13.0 °C(Predicted)
Density  1.322±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Chloroform (Slightly, Heated), Methanol (Slightly)
form  Solid
pka 11.65±0.50(Predicted)
color  Off-White to Pale Yellow
InChI InChI=1S/C4H4N2O/c7-3-4-1-5-6-2-4/h1-3H,(H,5,6)
InChIKey LRGBDJBDJXZTTD-UHFFFAOYSA-N
SMILES N1C=C(C=O)C=N1
CAS DataBase Reference 35344-95-7(CAS DataBase Reference)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi
HazardClass  IRRITANT
HS Code  2933199090

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