4546-95-6

Name 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID
CAS 4546-95-6
Molecular Formula C4H3N3O4
MDL Number MFCD00005246
Molecular Weight 157.08
MOL File 4546-95-6.mol
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Chemical Properties

Melting point  200 °C (dec.)(lit.)
Boiling point  587.9±35.0 °C(Predicted)
density  1.981±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
pka pK1:1.86;pK2:5.90;pK3:9.30 (25°C)
Appearance White to light yellow Solid
InChI InChI=1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
InChIKey TZFOEYRGARRRGO-UHFFFAOYSA-N
SMILES N1C(C(O)=O)=C(C(O)=O)N=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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