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ChemicalBook--->CAS DataBase List--->138-60-3

138-60-3

138-60-3 Structure

138-60-3 Structure
IdentificationMore
[Name]

Chelidamic acid
[CAS]

138-60-3
[Synonyms]

1,4-DIHYDRO-4-OXO-2,6-PYRIDINEDICARBOXYLIC ACID
4-HYDROXY-2,6-PYRIDINEDICARBOXYLIC ACID
4-HYDROXYPYRIDINE-2,6-DICARBOXYLIC ACID
4-PYRIDONE-2,6-DICARBOXYLIC ACID
AKOS 90653
CHELIDAMIC ACID
CHELIDAMIC ACID HYDRATE
1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate
4-Hydroxypyridine-2,6-dicarboxylic acid hydrate
chelidamic acid approx. 95%
Chelidamic aicd
1,4-dihydro-4-oxopyridine-2,6-dicarboxylic acid
.HELIDAMIC AICD
4-Hydroxy-2,6-pyridenedicarboxylic acid
Ammox-chelidonic acid
4-Oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid
Chelidamic acid (4-Hydroxypyridine-2,6-dicarboxylic acid)
1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate, 4-Hydroxypyridine-2,6-dicarboxylic acid
2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-
4-Oxo-1H-pyridine-2,6-dicarboxylic acid
[EINECS(EC#)]

205-335-8
[Molecular Formula]

C7H5NO5
[MDL Number]

MFCD00066478
[Molecular Weight]

183.12
[MOL File]

138-60-3.mol
Chemical PropertiesBack Directory
[Melting point ]

265-270 °C
[Boiling point ]

428.3±45.0 °C(Predicted)
[density ]

1.726±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

1 M NH4OH: 50mg/mL, clear to slightly hazy
[form ]

powder
[pka]

0.12±0.40(Predicted)
[color ]

brown
[Detection Methods]

HPLC,NMR
[BRN ]

476229
[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
[SMILES]

C1(C(O)=O)NC(C(O)=O)=CC(=O)C=1
[CAS DataBase Reference]

138-60-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Sodium nitrite-->Potassium permanganate-->2,6-DIMETHYL-PYRIDIN-4-YLAMINE
[Preparation Products]

2,6-Bis(bromomethyl)-4-bromopyridine-->Dimethyl 4-methoxy-2,6-Pyridinedicarboxylate-->DIETHYL 4-CHLORO-2,6-PYRIDINEDICARBOXYLATE-->Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate-->Diethyl 4-bromopyridine-2,6-dicarboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Chelidamic acid(138-60-3).msds
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

Chelidamic acid hydrate has been used in eluent solution as a complexing additive in high-performance chelation ion chromatography (HPCIC) for speciation of iron. It has also been used as an organic ligand for the polyoxometalate (POM)-based lanthanoid hybrid compounds.
[Biochem/physiol Actions]

Among the most potent of the tested "conformationally restricted glutamate analogs" as an inhibitor of glutamate decarboxylase.
[Advantages]

Chelidamic acid (1,4-dihydro-4-oxopyridine-2,6- dicarboxylic acid, CDA) is an organic material with great potential for accepting alkaline ions. It could be used as the anode material in LIBs. The new materials offer high capacity, superior cycle retention, favourable rate capability, and interesting electrochemical behaviours[1].
[References]

[1] Fu-Ming Wang*. “Synthesis and Characterization of Chelidonic Acid and Chelidamic Acid as Organic Anode Materials for Energy Storage.” ACS Sustainable Chemistry & Engineering 9 36 (2021): 12286–12299.
Spectrum DetailBack Directory
[Spectrum Detail]

Chelidamic acid(138-60-3)MS
Chelidamic acid(138-60-3)1HNMR
Chelidamic acid(138-60-3)13CNMR
Chelidamic acid(138-60-3)IR1
Chelidamic acid(138-60-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Chelidamic acid hydrate, 97%(138-60-3)
[Sigma Aldrich]

138-60-3(sigmaaldrich)
[TCI AMERICA]

Chelidamic Acid  Monohydrate,>95.0%(T)(138-60-3)
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218-01-9 99-32-1 138-60-3

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