Chelidamic acid

Basic Information

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CAS Number

138-60-3

Molecular Formula

C7H5NO5

Molecular Weight

183.12 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

Physical State

Yellow to Brown Solid

Melting Point

267 °C (dec.)

Boiling Point

428.3°C at 760 mmHg

Density

1.726

Flash Point

212.8℃

SMILES

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C1=C(NC(=CC1=O)C(=O)O)C(=O)O

InChI

InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)

InChIKey

XTLJJHGQACAZMS-UHFFFAOYSA-N

LogP

-0.22869999999999996

Topological Polar Surface Area

107.46 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

320

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,6-Pyridinedicarboxylic acid, 4-hydroxy-
UNII-1A59BH8SXE
AKOS003233475
LP00298
NCGC00015270-05
CHELIDAMIC ACID
EU-0100298
138-60-3
499-51-4
SCHEMBL742928
4-Oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid #
4-Hydroxypyridine-2,6-dicarboxylic acid
J-515530
C 8011
HMS2439A21
Chelidamic acid hydrate
4-oxo-1H-pyridine-2,6-dicarboxylic acid
DTXSID00160451
DS-1684
EN300-95632
1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic acid
Q2667856
Z2900188067
SR-01000075782-1
4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
chelidamic acid (4-hydroxypyridine-2,6-dicarboxylic acid)
CHEMBL252909
MLS000042771
FT-0623584
SDCCGSBI-0050286.P002
HMS3260L18

MDL Number

MFCD00038010

Customs Code

2933399090

FAQ

What is Chelidamic acid (CAS: 138-60-3)?

Chelidamic acid, with the CAS number 138-60-3, is a cyclic dicarboxylic acid commonly used in pharmaceutical and industrial applications. It has the chemical formula C6H10O4 and is known for its ability to form stable chelates with metal ions. This compound is typically a white crystalline solid with a characteristic acidic taste and is soluble in water and organic solvents.

What are the main uses of Chelidamic acid (CAS: 138-60-3)?

Chelidamic acid is primarily used in pharmaceuticals as an anticonvulsant and in the synthesis of other drugs. It also finds applications in the food industry as a flavor enhancer and in research for its chelating properties. Additionally, it is used in the production of certain metal complexes and as a component in industrial coatings and treatments.

Is Chelidamic acid (CAS: 138-60-3) safe?

Chelidamic acid is generally considered safe when used in recommended quantities and under proper handling conditions. However, it should be handled with care, as high concentrations may cause irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation to minimize exposure risks.

How should Chelidamic acid (CAS: 138-60-3) be stored?

Chelidamic acid should be stored in a cool, dry, and well-ventilated place away from direct light. It is best kept in a sealed container at a temperature below 25°C and with humidity levels below 60%. Proper storage ensures stability and prevents degradation, maintaining its effectiveness and safety.