Lot numbers can be found on the outside label of a product:
2,5-Dichloronicotinic acid
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CAS No. 59782-85-3
- Cat. No. CS-W002845
- Purity≥97%
- MDL No.MFCD01861979
*For research and further manufacturing use only, not for direct human use.
Structure of 59782-85-3
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General Information
- CAS No. 59782-85-3
- Cat. No. CS-W002845
- Purity ≥97%
- MDL No. MFCD01861979
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₃Cl₂NO₂
- Molecular Weight 192.00
- Synonym(s) 2,5-Dichloro-3-pyridinecarboxylic Acid; 2,5-Dichloronicotinic acid
- SMILES ClC(C=N1)=CC(C(O)=O)=C1Cl
Description
2,5-Dichloronicotinic acid is a sterically hindered, electron-deficient heterocyclic carboxylic acid featuring two chlorine substituents at the 2- and 5-positions of the pyridine ring. This configuration enhances its stability and reactivity in coupling processes, enabling efficient incorporation into pharmaceutical intermediates and functional materials under standard conditions.
Application
2,5-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 facilitate palladium-catalyzed cross-coupling reactions and nucleophilic aromatic substitution, while the carboxylic acid group supports direct derivatization or activation for amide bond formation. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthetic workflows.
Synthesis
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Route1
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In-stock
2402-78-0 - ~%
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In-stock
59782-85-3
References
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EP1364950 A1, ; Page/Page column 39 ; EP 1364950 A1
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Route2
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In-stock
138006-41-4 - ~%
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In-stock
59782-85-3
References
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EP634413 A1, ;
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Route3
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In-stock
38076-80-1 - ~91%
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In-stock
59782-85-3
References
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Gero, Thomas W.; Jaques, Larry W.; Mays, Richard P.; Reid, Debra H.; Shamblee, Dwight A.; et al. Synthetic Communications, 1989 , vol. 19, # 3and4 p. 553 - 560
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Safety Information
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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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