1H-1,2,3-Triazole-4,5-dicarboxylic acid

Basic Information

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CAS Number

4546-95-6

Molecular Formula

C4H3N3O4

Molecular Weight

157.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

200 °C (dec.)

SMILES

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C1(=NNN=C1C(=O)O)C(=O)O

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

LogP

-0.7988999999999999

Topological Polar Surface Area

116.17000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

174

Synonyms & References

English

1,2,3-triazole-4,5-dicarboxylic acid
1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLIC ACID
1,2,3-thiazole-4,5-dicarboxylic acid
Triazole-4,5-dicarboxylic acid
1,2,3-TRIAZOLE-4,5-DICARBOXYLICACID
2h-1,2,3-triazole-4,5-dicarboxylic acid
2H-triazole-4,5-dicarboxylic acid
NSC83126
4,5-Dicarboxy-1,2,3-triazole
TZFOEYRGARRRGO-UHFFFAOYSA-N
KUC107934N
1H-triazole-4,5-dicarboxylic acid
ZERO/005686
BBL000197
STK291559
SBB013585
FCH
DB-261048
SCHEMBL11029352
KSC-20-108
SY247523
AS-62906
v-Triazole-4,5-dicarboxylic acid
294853-04-6
1H-1,2,3-Triazole-4,5-dicarboxylic acid #
SCHEMBL211857
SR-01000397580-1
4546-95-6
EU-0034470
MFCD00005246
1,2,3-Triazole-4,5-dicarboxylic acid, 98%

MDL Number

MFCD00005246

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6)?

1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6) is a crystalline solid with a molecular weight of approximately 194.12 g/mol. It is moderately soluble in water and has a pKa of around 4.2. The compound is reactive towards nucleophiles and has good stability under neutral to slightly acidic conditions.

How is 1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6) typically synthesized?

1H-1,2,3-Triazole-4,5-dicarboxylic acid is typically synthesized via the condensation of 1,2,3-triazole and dicarboxylic acid derivatives. Common methods include the use of acetic anhydride and triethylamine as reagents. The synthesis yields a product with a purity of over 95%, and the process is generally conducted under mild conditions to ensure high selectivity and yield.

What industries use 1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6)?

1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6) has applications in various industries, including pharmaceuticals, where it is used as a precursor for drug synthesis; polymers, where it acts as a monomer for the development of new materials; and sensors, where its unique properties make it suitable for detecting specific chemical compounds.

What precautions should be taken when handling 1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6)?

When handling 1H-1,2,3-Triazole-4,5-dicarboxylic acid (CAS: 4546-95-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be stored in a fume hood to minimize inhalation risks. In case of a spill, it should be handled with care, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines.