Lot numbers can be found on the outside label of a product:
3-Methyl-4-(trifluoromethyl)aniline
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CAS No. 106877-31-0
- Cat. No. CS-0076423
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 106877-31-0
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General Information
- CAS No. 106877-31-0
- Cat. No. CS-0076423
- Purity ≥95%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈F₃N
- Molecular Weight 175.15
- Synonym(s) 4-Trifluoromethyl-3-toluidine
- SMILES FC(F)(F)C(C(C)=C1)=CC=C1N
Description
3-Methyl-4-(trifluoromethyl)aniline features a trifluoromethyl group that imparts enhanced electron-withdrawal and metabolic stability, while the methyl substituent provides steric influence. This combination enables efficient incorporation into pharmaceutical scaffolds and advanced materials. The compound exhibits robust bench stability and facilitates direct coupling in cross-coupling reactions under standard conditions.
Application
3-Methyl-4-(trifluoromethyl)aniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering enhanced lipophilicity and metabolic stability through its trifluoromethyl group. The aniline functionality enables direct coupling reactions, while the methyl substituent provides steric and electronic modulation. Its bench-stable solid form facilitates handling and purification, making it well-suited for multistep syntheses requiring functional group tolerance and predictable reactivity.
Synthesis
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References
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Tordeux, Marc; Langlois, Bernard; Wakselman, Claude Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 8 p. 2293 - 2299
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Route2
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In-stock
5326-38-5 - ~%
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In-stock
106877-31-0
References
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ARDELYX, INC.; LEWIS, Jason, G.; REICH, Nicholas; CHEN, Tao; JACOBS, Jeffrey W.; CHARMOT, Dominique; NAVRE, Marc; FINN, Patricia; CARRERAS, Christopher; SPENCER, Andrew Patent: WO2013/96771 A1, 2013 ;
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Route3
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99-52-5 - ~%
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In-stock
106877-31-0
References
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ARDELYX, INC.; LEWIS, Jason, G.; REICH, Nicholas; CHEN, Tao; JACOBS, Jeffrey W.; CHARMOT, Dominique; NAVRE, Marc; FINN, Patricia; CARRERAS, Christopher; SPENCER, Andrew Patent: WO2013/96771 A1, 2013 ;
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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 26.02
- LogP 2.59602
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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