4-chloro-8-methoxy-2-(trifluoromethyl)quinoline


Chemical Name: 4-chloro-8-methoxy-2-(trifluoromethyl)quinoline
CAS Number: 41192-89-6
Product Number: AG003L65(AGN-PC-0JTXUD)
Synonyms:
MDL No: MFCD00160552
Molecular Formula: C11H7ClF3NO
Molecular Weight: 261.6276

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
261.628g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
261.017g/mol
Monoisotopic Mass:
261.017g/mol
Topological Polar Surface Area:
22.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
274
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Chloro-8-methoxy-2-(trifluoromethyl)quinoline, also known as $name$, serves as a versatile building block in chemical synthesis. This compound is commonly employed in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure imparts valuable reactivity and functionality, making it a valuable tool for synthesizing complex molecules. In organic synthesis, $name$ can be utilized as a key intermediate for the construction of various heterocyclic compounds. Its trifluoromethyl group enhances the compound's lipophilicity and pharmacokinetic properties, making it an attractive candidate for drug design and development. Additionally, the presence of both a chloro and methoxy group offers opportunities for selective functionalization, enabling the introduction of diverse substituents to tailor the compound for specific applications. The rich chemistry of 4-Chloro-8-methoxy-2-(trifluoromethyl)quinoline makes it a valuable asset in the toolbox of synthetic chemists seeking to access novel molecules with desired properties.