Lot numbers can be found on the outside label of a product:
6-(Trifluoromethyl)quinoline
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CAS No. 325-13-3
- Cat. No. CS-0199400
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 325-13-3
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General Information
- CAS No. 325-13-3
- Cat. No. CS-0199400
- Purity ≥97%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₆F₃N
- Molecular Weight 197.16
- Synonym(s) None
- SMILES C1=CC2=CC(=CC=C2N=C1)C(F)(F)F
Description
6-(Trifluoromethyl)quinoline is a fluorinated heterocyclic compound featuring a trifluoromethyl group at the 6-position of the quinoline scaffold. This electron-deficient aryl moiety enhances binding affinity in medicinal chemistry applications and improves metabolic stability. The molecule exhibits excellent solubility in organic solvents and maintains bench-stable integrity under standard handling conditions. It serves as a key building block for kinase inhibitors, ligands in catalysis, and advanced materials.
Application
6-(Trifluoromethyl)quinoline serves as a valuable building block in medicinal chemistry and catalytic synthesis, offering enhanced metabolic stability and lipophilicity due to the electron-withdrawing trifluoromethyl group. It functions as a versatile scaffold for palladium-catalyzed cross-coupling reactions, enabling efficient C–H functionalization and late-stage diversification. The compound exhibits good bench stability and compatibility with standard reaction conditions, facilitating its use in the development of bioactive heterocycles and pharmaceutical intermediates.
Synthesis
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Route1
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455-14-1 -
In-stock
56-81-5 - ~15%
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In-stock
325-13-3
References
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Sylvester, Kevin T.; Wu, Kevin; Doyle, Abigail G. Journal of the American Chemical Society, 2012 , vol. 134, # 41 p. 16967 - 16970,4 Title/Abstract Full Text Show Details Sylvester, Kevin T.; Wu, Kevin; Doyle, Abigail G. Journal of the American Chemical Society, 2012 , vol. 134, # 41 p. 16967 - 16970
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Route2
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In-stock
580-15-4 - ~%
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In-stock
325-13-3
References
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Angewandte Chemie - International Edition, , vol. 52, # 31 p. 7972 - 7975 Angew. Chem., , vol. 125, # 31 p. 8130 - 8133
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Route3
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402-54-0 - ~%
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In-stock
325-13-3
References
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Helvetica Chimica Acta, , vol. 30, p. 107,110
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H320-H335
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Precautionary Statements : P264-P270-P330
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Quality Control
Computational Chemistry Data
- TPSA 12.89
- LogP 3.2536
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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