Lot numbers can be found on the outside label of a product:
2-Trifluoromethyl-4-aminobenzonitrile
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CAS No. 654-70-6
- Cat. No. CS-M3188
- Purity≥97%
- MDL No.MFCD00042155
*For research and further manufacturing use only, not for direct human use.
Structure of 654-70-6
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General Information
- CAS No. 654-70-6
- Cat. No. CS-M3188
- Purity ≥97%
- MDL No. MFCD00042155
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅F₃N₂
- Molecular Weight 186.14
- Synonym(s) 4-Amino-2-(trifluoromethyl)benzonitrile
- SMILES N#CC1=CC=C(N)C=C1C(F)(F)F
Application
2-Trifluoromethyl-4-aminobenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized heterocycles and bioactive scaffolds. Its trifluoromethyl and nitrile groups provide strong electron-withdrawing character and enhanced metabolic stability, while the amino group facilitates direct coupling and derivatization. The compound exhibits excellent bench stability and compatibility with standard synthetic protocols, making it ideal for modular synthesis of pharmaceutical intermediates and advanced materials.
Synthesis
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Route1
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393-36-2 - ~78%
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In-stock
654-70-6
References
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AGOURON PHARMACEUTICALS, INC. Patent: EP365763 A1, 1990 ;
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Route2
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320-41-2 - ~%
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In-stock
654-70-6
References
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Journal of the American Chemical Society, , vol. 76, p. 1051,1054
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Route3
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544-92-3 -
393-36-2
- ~76%
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In-stock
654-70-6
References
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Jones, Terence R.; Varney, Michael D.; Webber, Stephen E.; Lewis, Kathleen K.; Marzoni, Gifford P.; Palmer, Cindy L.; Kathardekar, Vinit; Welsh, Katharine M.; Webber, Stephanie; Matthews, David A.; Appelt, Krzysztof; Smith, Ward W.; Janson, Cheryl A.; Villafranca; Bacquet, Russell J.; Howland, Eleanor F.; Booth, Carol L. J.; Herrmann, Steven M.; Ward, Robert W.; White, Jennifer; Moomaw, Ellen W.; Bartlett, Charlotte A.; Morse, Cathy A. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 904 - 917
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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-H317
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Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 49.81
- LogP 2.15928
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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