Lot numbers can be found on the outside label of a product:
5,6-Dichloronicotinic acid
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CAS No. 41667-95-2
- Cat. No. CS-W007398
- Purity≥98%
- MDL No.MFCD00075181
*For research and further manufacturing use only, not for direct human use.
Structure of 41667-95-2
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General Information
- CAS No. 41667-95-2
- Cat. No. CS-W007398
- Purity ≥98%
- MDL No. MFCD00075181
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₃Cl₂NO₂
- Molecular Weight 192.00
- Synonym(s) None
- SMILES O=C(C1=CC(Cl)=C(Cl)N=C1)O
Description
5,6-Dichloronicotinic acid is a halogenated pyridine carboxylic acid featuring two chlorine atoms at the 5- and 6-positions of the ring. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, offering enhanced metabolic stability and modulated electronic properties. Its polar carboxylate group enables straightforward derivatization for conjugation or salt formation. The molecule exhibits favorable solubility characteristics under standard conditions and maintains bench stability during handling.
Application
5,6-Dichloronicotinic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted pyridine scaffolds. Its dual chloro substituents enhance electrophilicity at the ring, facilitating palladium-catalyzed cross-coupling reactions and nucleophilic aromatic substitution under mild conditions. The carboxylic acid functionality provides a handle for derivatization via amide formation, esterification, or direct activation for peptide coupling. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring functional group compatibility and predictable reactivity.
Synthesis
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Route1
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401566-69-6 - ~93%
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In-stock
41667-95-2
References
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XENON PHARMACEUTICALS INC.; GENENTECH, INC; Chowdhury, Sultan; Dehnhardt, Christoph Martin; Focken, Thilo; Grimwood, Michael Edward; Hemeon, Ivan William; Jia, Qi; Ortwine, Daniel; Safina, Brian; Sun, Shaoyi; Sutherlin, Daniel P.; Zenova, Alla Yurevna Patent: US2013/317000 A1, 2013 ; Location in patent: Paragraph 0368-0369 ;
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Route2
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In-stock
65189-15-3 - ~%
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In-stock
41667-95-2
References
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Raeth; Schiffmann Justus Liebigs Annalen der Chemie, 1931 , vol. 487, p. 127,129
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Route3
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54127-63-8 -
10026-13-8 -
10025-87-3
- ~%
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In-stock
41667-95-2
References
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v. Pechmann; Mills Chemische Berichte, 1904 , vol. 37, p. 3830
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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
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 50.19
- LogP 2.0866
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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