107469-72-7

Name 5-benzyl-4H-1,2,4-triazole-3-carboxylic acid
CAS 107469-72-7
Molecular Formula C10H9N3O2
MDL Number MFCD32690791
Molecular Weight 203.2
MOL File 107469-72-7.mol
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Chemical Properties

Boiling point  499.7±38.0 °C(Predicted)
density  1.390±0.06 g/cm3(Predicted)
pka 11.26±0.40(Predicted)
InChI InChI=1S/C10H9N3O2/c14-10(15)9-11-8(12-13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H,11,12,13)
InChIKey WTZOKLZJHWSCBN-UHFFFAOYSA-N
SMILES N1C(C(O)=O)=NC(CC2=CC=CC=C2)=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Spectrum Detail

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