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4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Structure

4-(1H-1,2,4-Triazol-1-yl)benzaldehyde

Chemical Properties

Melting point 147 °C
Boiling point 369.2±44.0 °C(Predicted)
Density  1.25±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  slightly sol. in Methanol
form  powder to crystal
pka 1.94±0.10(Predicted)
color  Light orange to Yellow to Green
InChI InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H
InChIKey TVEJNWMWDIXPAX-UHFFFAOYSA-N
SMILES C(=O)C1=CC=C(N2C=NC=N2)C=C1
CAS DataBase Reference 27996-86-7(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi,Xn
Risk Statements  22-36/37/38
Safety Statements  22-24/25-36/37/39-26
HazardClass  IRRITANT
HS Code  2913000090

Usage And Synthesis

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