4546-95-6

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4546-95-6 Structure

Identification	Back Directory
[Name] 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID
[CAS] 4546-95-6
[Synonyms] 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID 1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID 99% 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID, 99 %
[Molecular Formula] C4H3N3O4
[MDL Number] MFCD00005246
[MOL File] 4546-95-6.mol
[Molecular Weight] 157.08

Chemical Properties	Back Directory
[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	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26-37/39
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Uses] 1H-1,2,3-Triazole-4,5-dicarboxylic Acid is used in preparation of high purity triazole.

Spectrum Detail	Back Directory
[Spectrum Detail] 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID(4546-95-6)MS 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID(4546-95-6)¹HNMR 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID(4546-95-6)¹³CNMR 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID(4546-95-6)IR1 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID(4546-95-6)IR2 1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID(4546-95-6)Raman

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