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4546-95-6

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4546-95-6 Structure

4546-95-6 Structure
IdentificationBack 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 PropertiesBack 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 DataBack 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 InformationBack Directory
[Uses]

1H-1,2,3-Triazole-4,5-dicarboxylic Acid is used in preparation of high purity triazole.
Spectrum DetailBack 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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