Lot numbers can be found on the outside label of a product:
5-Bromo-3-(trifluoromethyl)-1H-indazole
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CAS No. 57631-11-5
- Cat. No. CS-0019236
- Purity≥97%
- MDL No.MFCD11111670
*For research and further manufacturing use only, not for direct human use.
Structure of 57631-11-5
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General Information
- CAS No. 57631-11-5
- Cat. No. CS-0019236
- Purity ≥97%
- MDL No. MFCD11111670
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₄BrF₃N₂
- Molecular Weight 265.03
- Synonym(s) 1H-INDAZOLE, 5-BROMO-3-(TRIFLUOROMETHYL)-
- SMILES FC(C1=NNC2=C1C=C(Br)C=C2)(F)F
Description
5-Bromo-3-(trifluoromethyl)-1H-indazole features a unique combination of bromine and trifluoromethyl substituents on the indazole scaffold, delivering enhanced electron-withdrawing character and improved metabolic stability. This configuration enables efficient coupling in transition-metal-catalyzed transformations, making it a valuable building block for medicinal chemistry and functional materials synthesis.
Application
5-Bromo-3-(trifluoromethyl)-1H-indazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine and trifluoromethyl functionalities. Its stability under standard reaction conditions and compatibility with diverse coupling partners facilitate efficient construction of complex heterocyclic scaffolds. The molecule's defined electronic profile enhances regioselective transformations, making it a practical choice for API intermediate synthesis and drug discovery campaigns.
Synthesis
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Route1
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In-stock
617706-15-7 - ~43%
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In-stock
57631-11-5
References
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AMR TECHNOLOGY, INC. Patent: WO2008/86404 A1, 2008 ; Location in patent: Page/Page column 126-127 ; WO 2008/086404 A1
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Route2
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57631-10-4 - ~%
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In-stock
57631-11-5
References
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Produits Chimiques Ugine Kuhlmann Patent: US4051145 A1, 1977 ;
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Route3
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57631-04-6 - ~%
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In-stock
57631-11-5
References
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Zhu, Gui-Dong; Gong, Jianchun; Gandhi, Viraj B.; Woods, Keith; Luo, Yan; Liu, Xuesong; Guan, Ran; Klinghofer, Vered; Johnson, Eric F.; Stoll, Vincent S.; Mamo, Mulugeta; Li, Qun; Rosenberg, Saul H.; Giranda, Vincent L. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 6 p. 2441 - 2452
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301-H315-H319-H335
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 28.68
- LogP 3.3442
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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