Lot numbers can be found on the outside label of a product:
2-Chloro-3-nitro-5-(trifluoromethyl)pyridine
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CAS No. 72587-15-6
- Cat. No. CS-W005659
- Purity≥96%
- MDL No.MFCD06255171
*For research and further manufacturing use only, not for direct human use.
Structure of 72587-15-6
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General Information
- CAS No. 72587-15-6
- Cat. No. CS-W005659
- Purity ≥96%
- MDL No. MFCD06255171
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₂ClF₃N₂O₂
- Molecular Weight 226.54
- Synonym(s) 2-chloro-5-(trifluoroMethyl)-3-nitropyridine
- SMILES FC(C1=CN=C(Cl)C([N+]([O-])=O)=C1)(F)F
Description
2-Chloro-3-nitro-5-(trifluoromethyl)pyridine features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the chloro and nitro substituents enable selective cross-coupling and functionalization under mild conditions. This pyridine derivative serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceutical candidates.
Application
2-Chloro-3-nitro-5-(trifluoromethyl)pyridine serves as a versatile building block in medicinal chemistry, enabling late-stage functionalization via palladium-catalyzed cross-coupling. Its trifluoromethyl and nitro groups enhance electron-withdrawing character, facilitating nucleophilic substitution at the C2 position. The molecule exhibits good bench stability and compatibility with common protecting group strategies, supporting efficient synthesis of heterocyclic scaffolds relevant to agrochemical and pharmaceutical development.
Synthesis
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Route1
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In-stock
33252-64-1 - ~89%
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In-stock
72587-15-6
References
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Respiratorius AB Patent: WO2009/7418 A1, 2009 ; Location in patent: Page/Page column 23 ;
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References
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Ahn, Sung Oh; Park, Chan Hee; Im, Jun Hwan; Lee, Soon Ok; Lee, Kyoung June; Cho, Seong Wook; Ko, Kwang Seok; Han, Sun Young; Lee, Won Il Patent: US2011/28467 A1, 2011 ; Location in patent: Page/Page column 22 ; US 20110028467 A1
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Route3
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10026-13-8 -
In-stock
33252-64-1
- ~53%
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In-stock
72587-15-6
References
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PFIZER INC. Patent: EP436333 A2, 1991 ;
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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 56.03
- LogP 2.662
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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