Quinoline, 4-(trifluoromethyl)-


Chemical Name: Quinoline, 4-(trifluoromethyl)-
CAS Number: 25199-77-3
Product Number: AG002QV5(AGN-PC-0KKYHN)
Synonyms:
MDL No:
Molecular Formula: C10H6F3N
Molecular Weight: 197.1565

Identification/Properties


Computed Properties
Molecular Weight:
197.16g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
197.045g/mol
Monoisotopic Mass:
197.045g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
202
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:
H302-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



4-(Trifluoromethyl)quinoline is a versatile compound extensively utilized in chemical synthesis. This unique molecule serves as a valuable building block in various organic reactions, offering significant advantages in the development of new materials and pharmaceuticals. Due to the presence of the trifluoromethyl group, it enhances the physicochemical properties of target molecules, such as increased lipophilicity and metabolic stability. In synthetic chemistry, 4-(Trifluoromethyl)quinoline is commonly employed as a key intermediate in the synthesis of biologically active compounds, agrochemicals, and advanced materials. Its strategic placement within molecular structures imparts desirable properties, making it a valuable tool for chemical researchers and drug developers seeking to enhance the potency and selectivity of their target molecules.