Lot numbers can be found on the outside label of a product:
5-Bromo-1H-benzotriazole
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CAS No. 32046-62-1
- Cat. No. CS-0030413
- Purity≥96%
- MDL No.MFCD00464510
*For research and further manufacturing use only, not for direct human use.
Structure of 32046-62-1
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General Information
- CAS No. 32046-62-1
- Cat. No. CS-0030413
- Purity ≥96%
- MDL No. MFCD00464510
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄BrN₃
- Molecular Weight 198.02
- Synonym(s) 6-Bromo-1H-1,2,3-benzotriazole
- SMILES BrC1=CC=C2N=NNC2=C1
Description
5-Bromo-1H-benzotriazole is a bench-stable heterocyclic reagent featuring a bromine substituent at the 5-position, enhancing its electrophilic character. This configuration supports efficient coupling reactions in synthetic organic chemistry, particularly in transition-metal-catalyzed transformations. The molecule’s electron-deficient triazole core facilitates regioselective functionalization and serves as a robust scaffold for advanced molecular architectures.
Application
5-Bromo-1H-benzotriazole serves as a versatile building block in synthetic organic chemistry, enabling efficient heterocyclic functionalization and transition metal-catalyzed coupling reactions. Its bromine substituent facilitates cross-coupling with boronic acids and other nucleophiles under palladium catalysis, while the benzotriazole core provides excellent stability and compatibility with diverse reaction conditions. The compound functions as a reliable scaffold for constructing complex molecular architectures in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
1575-37-7 - ~92%
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In-stock
32046-62-1
References
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BIAL - PORTELA and Cª, S.A. Patent: US2012/65191 A1, 2012 ; Location in patent: Page/Page column 26; 27 ;
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Route2
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In-stock
875-51-4 - ~%
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In-stock
32046-62-1
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 5 p. 827 - 832
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Route3
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36615-95-9 - ~%
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In-stock
32046-62-1
References
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Journal of the Chemical Society, , p. 1143,1153
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Safety Information
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GHS Pictogram :
N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 41.57
- LogP 1.7204
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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