3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-, ethyl ester
CAS Number: 318-35-4
Product Number: AG003QDK(AGN-PC-0O8V54)
Synonyms:
MDL No:
Molecular Formula: C12H10FNO3
Molecular Weight: 235.2111

Identification/Properties


Properties
MP:
320-323 °C
BP:
348°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
235.214g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
235.064g/mol
Monoisotopic Mass:
235.064g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
367
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate is a versatile compound used in chemical synthesis. It acts as a key building block for the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. This compound is known for its ability to participate in different synthetic processes, such as the formation of heterocyclic frameworks and the introduction of functional groups. In organic synthesis, Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate serves as a vital intermediate, enabling the creation of complex molecules with specific biological activities. Its strategic positioning in the synthesis of biologically active compounds highlights its significance in the realm of medicinal chemistry and chemical research.