Lot numbers can be found on the outside label of a product:
5-(3-Bromophenyl)-1H-1,2,4-triazole
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CAS No. 342617-08-7
- Cat. No. CS-0060391
- Purity≥97%
- MDL No.MFCD18087726
*For research and further manufacturing use only, not for direct human use.
Structure of 342617-08-7
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General Information
- CAS No. 342617-08-7
- Cat. No. CS-0060391
- Purity ≥97%
- MDL No. MFCD18087726
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrN₃
- Molecular Weight 224.06
- Synonym(s) 3-(3-Bromophenyl)-4H-1,2,4-triazole
- SMILES C1=CC(=CC(=C1)Br)C2=NNC=N2
Description
5-(3-Bromophenyl)-1H-1,2,4-triazole features a brominated phenyl group attached to the triazole core, delivering enhanced electron-withdrawing character and improved synthetic versatility. This bench-stable heterocycle integrates readily into pharmaceutical intermediates and functional materials, offering predictable reactivity in cross-coupling and metal-mediated transformations under standard conditions.
Application
5-(3-Bromophenyl)-1H-1,2,4-triazole serves as a versatile building block for constructing bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions with broad functional group tolerance. The bromo substituent facilitates efficient C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the triazole core provides metabolic stability and hydrogen-bonding capacity. Bench-stable and readily purified by recrystallization, it functions as a reliable scaffold in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
22726-00-7 - ~%
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In-stock
342617-08-7
References
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MERCK SHARP and DOHME CORP.; YOUNG, Jonathan; CZAKO, Barbara; ALTMAN, Michael; GUERIN, David; MARTINEZ, Michelle; RIVKIN, Alexey; WILSON, Kevin; LIPFORD, Kathryn; WHITE, Catherine; SURDI, Laura; CHICHETTI, Stephanie; DANIELS, Matthew, H.; AHEARN, Sean, P.; FALCONE, Danielle; OSIMBONI, Ekundayo Patent: WO2011/84402 A1, 2011 ;
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References
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SIGNAL PHARMACEUTICALS, LLC Patent: WO2008/51493 A2, 2008 ; Location in patent: Page/Page column 165 ;
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Route3
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In-stock
585-76-2 - ~%
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In-stock
342617-08-7
References
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MERCK SHARP and DOHME CORP.; YOUNG, Jonathan; CZAKO, Barbara; ALTMAN, Michael; GUERIN, David; MARTINEZ, Michelle; RIVKIN, Alexey; WILSON, Kevin; LIPFORD, Kathryn; WHITE, Catherine; SURDI, Laura; CHICHETTI, Stephanie; DANIELS, Matthew, H.; AHEARN, Sean, P.; FALCONE, Danielle; OSIMBONI, Ekundayo Patent: WO2011/84402 A1, 2011 ;
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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-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 41.57
- LogP 2.2342
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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