Lot numbers can be found on the outside label of a product:
5-Bromo-6-hydroxynicotinic acid
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CAS No. 41668-13-7
- Cat. No. CS-W003480
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 41668-13-7
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General Information
- CAS No. 41668-13-7
- Cat. No. CS-W003480
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄BrNO₃
- Molecular Weight 218.01
- Synonym(s) 5-Bromo-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
- SMILES OC(=O)c1c[nH]c(=O)c(c1)Br
Description
5-Bromo-6-hydroxynicotinic acid features a bromine substituent at the 5-position and a hydroxyl group at the 6-position of the nicotinic acid core. This combination imparts enhanced polarity and reactivity, enabling direct incorporation into synthetic scaffolds for medicinal chemistry applications. The molecule exhibits bench-stable behavior under standard conditions and offers site-specific functionalization potential.
Application
5-Bromo-6-hydroxynicotinic acid serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the pyridine ring for downstream derivatization. The bromo group facilitates palladium-catalyzed cross-coupling reactions, while the hydroxyl and carboxylic acid functionalities offer sites for selective protection or conjugation. Its bench-stable crystalline form supports straightforward handling, purification, and integration into standard heterocyclic synthesis workflows.
Synthesis
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Route1
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5006-66-6 - ~99%
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In-stock
41668-13-7
References
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Roever, Stephan; Andjelkovic, Mirjana; Benardeau, Agnes; Chaput, Evelyne; Guba, Wolfgang; Hebeisen, Paul; Mohr, Susanne; Nettekoven, Matthias; Obst, Ulrike; Richter, Wolfgang F.; Ullmer, Christoph; Waldmeier, Pius; Wright, Matthew B. Journal of Medicinal Chemistry, 2013 , vol. 56, # 24 p. 9874 - 9896
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Route2
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In-stock
381247-99-0 - ~%
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In-stock
41668-13-7
References
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v. Pechmann Chemische Berichte, 1884 , vol. 17, p. 2399 Chemische Berichte, 1885 , vol. 18, p. 318
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Route3
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In-stock
42933-07-3 - ~%
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In-stock
41668-13-7
References
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v. Pechmann Chemische Berichte, 1884 , vol. 17, p. 2399 Chemische Berichte, 1885 , vol. 18, p. 318
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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 70.16
- LogP 0.8356
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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