Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
• CAS No.: 116548-02-8
• Molecular Formula: C9H8F3NO3
• Molecular Weight: 235.16
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30554900
• Wikidata: Q82436086
• Mol file: 116548-02-8.mol

Synonyms:116548-02-8;ETHYL 2-OXO-6-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBOXYLATE;ETHYL 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINATE;1,2-DIHYDRO-2-OXO-6-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER;ethyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate;SCHEMBL6375741;DTXSID30554900;MKNWSULTPQRNKN-UHFFFAOYSA-N;AMY12069;Ethyl2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate;MFCD11975806;AKOS015891910;AKOS015892093;AC-27639;SY070345;CS-0436980;A937734;W-204906

Chemical Property of Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate

Chemical Property:

• Melting Point: 38-39 °C
• Boiling Point: 311.4±42.0 °C(Predicted)
• PKA: 6.17±0.10(Predicted)
• PSA: 59.16000
• Density: 1.393±0.06 g/cm3(Predicted)
• LogP: 1.57040
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 235.04562760
• Heavy Atom Count: 16
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(NC1=O)C(F)(F)F
• Uses: 1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxylic Acid Ethyl Ester is a useful reagent in the preparation of some trifluoromethylated pyridine derivatives as potential antihypertensives.