5-Ethylpyridine-2,3-dicarboxylic acid

Base Information

• Chemical Name: 5-Ethylpyridine-2,3-dicarboxylic acid
• CAS No.: 102268-15-5
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 29333990
• European Community (EC) Number: 600-293-0
• UNII: UC57WU0X05
• DSSTox Substance ID: DTXSID8029072
• Nikkaji Number: J195.869K
• Wikidata: Q72477063
• ChEMBL ID: CHEMBL3185109
• Mol file: 102268-15-5.mol

Synonyms:5-Ethylpyridine-2,3-dicarboxylic acid;102268-15-5;5-Ethylquinolinic acid;2,3-Pyridinedicarboxylic acid, 5-ethyl-;5-Ethyl-2,3-pyridinedicarboxylic acid;UC57WU0X05;CL 271,191;DTXSID8029072;C-80185;UNII-UC57WU0X05;SCHEMBL351540;DTXCID809072;CHEMBL3185109;BCP12471;Tox21_300682;MFCD00071733;AKOS006230429;AC-7655;AM81292;SB52284;NCGC00248138-01;NCGC00254590-01;AS-14918;LS-131358;CAS-102268-15-5;CS-0127995;E0887;FT-0620382;ETHYLPYRIDINE-2,3-DICARBOXYLIC ACID, 5-;5-Ethyl-2,3-pyridinedicarboxylic acid, AldrichCPR

Chemical Property of 5-Ethylpyridine-2,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 7.59E-08mmHg at 25°C
• Melting Point: 152-154 °C
• Refractive Index: 1.595
• Boiling Point: 421.2 °C at 760 mmHg
• PKA: 5.47±0.20(Predicted)
• Flash Point: 208.5 °C
• PSA: 87.49000
• Density: 1.388 g/cm³
• LogP: 1.04040
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Sonicated), Methanol (
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

98% ^*data from raw suppliers

5-EthylquinolinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(N=C1)C(=O)O)C(=O)O
• Uses: 5-Ethylquinolinic Acid is used in the synthesis of a breathable microporous metal-organic framework that displays reversible contraction and expansion of the pores without losing framework integrity.

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