216959-87-4

Name 4-(1H-1,2,3-Triazol-1-yl)benzoic acid
CAS 216959-87-4
Molecular Formula C9H7N3O2
Molecular Weight 189.17
MOL File 216959-87-4.mol
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Chemical Properties

Boiling point  411.1±47.0 °C(Predicted)
density  1.39±0.1 g/cm3(Predicted)
pka 3.80±0.10(Predicted)
InChI InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H,(H,13,14)
InChIKey JTHKCLWGWCRWRN-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(N2C=CN=N2)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501

Spectrum Detail

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