2-propyl-1H-imidazole-4,5-dicarboxylic acid

Basic Information

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CAS Number

58954-23-7

Molecular Formula

C8H10N2O4

Molecular Weight

198.18 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

Basic Physical Properties

Boiling Point

552.885°C at 760 mmHg

Density

1.464

Flash Point

552.885 ºC at 760 mmHg

Refractive Index

1.608

SMILES

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CCCC1=NC(=C(N1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)

InChIKey

BGPZYJSOTDBJMV-UHFFFAOYSA-N

LogP

0.7585999999999999

Topological Polar Surface Area

103.28 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

244

Synonyms & References

English

2-propyl-1H-imidazole-4,5-dicarboxylic Acid
DTXSID20437036
SCHEMBL651
58954-23-7
A832087
AKOS006346540
SR-01000461877-1
AC-4275
1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-
SR-01000461877
Oprea1_081265
TS-00322
2-propyl-4,5-imidazoledicarboxylic acid
MFCD02069629
CS-0453919
C16037
2-Propyl-1H-imidazole-4,5-dicarboxy acid
EU-0041506
FT-0657372
2-Propyl Imidazole Dicarboxylic Acid
2-Propyl-1H-imidazole-4,5-dicarboxylic acid
Imidazole-4,5-dicarboxylicacid, 2-propyl- (6CI)
IEM 1795

MDL Number

MFCD02069629

Customs Code

2933290090

FAQ

What is 2-propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7)?

2-Propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7) is a colorless to white crystalline compound with the chemical formula C8H10N2O4. It is characterized by its ability to form complexes with metal ions and has applications in pharmaceuticals and as a reagent in chemical synthesis.

What are the main uses of 2-propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7)?

2-Propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7) is primarily used as a chelating agent in pharmaceuticals for metal ion complexation and in research as a reagent for synthesizing other compounds. It is also used in the food industry for its stabilizing and preservative properties.

Is 2-propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7) safe?

2-Propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7) is generally safe when handled with appropriate precautions. It is important to avoid contact with skin and eyes, and to use appropriate personal protective equipment (PPE) such as gloves and goggles. Storage in a cool, dry place is recommended to prevent degradation.

How should 2-propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7) be stored?

2-Propyl-1H-imidazole-4,5-dicarboxylic acid (CAS: 58954-23-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and contamination. Avoid storing it in high humidity or high temperature environments to maintain its stability and efficacy.