Lot numbers can be found on the outside label of a product:
1-(3-Chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
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CAS No. 438450-39-6
- Cat. No. CS-0035572
- Purity≥98%
- MDL No.MFCD18260767
*For research and further manufacturing use only, not for direct human use.
Structure of 438450-39-6
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General Information
- CAS No. 438450-39-6
- Cat. No. CS-0035572
- Purity ≥98%
- MDL No. MFCD18260767
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₅ClF₃N₃O₂
- Molecular Weight 291.61
- Synonym(s) None
- SMILES O=C(C1=CC(C(F)(F)F)=NN1C2=NC=CC=C2Cl)O
Description
This pyrazole-carboxylic acid features a trifluoromethyl group and a 3-chloropyridin-2-yl moiety, delivering enhanced electron-withdrawing character and improved metabolic stability. The carboxylic acid function enables direct conjugation in synthetic routes, while the chloropyridine unit supports efficient coupling reactions under standard conditions. Designed for use in medicinal chemistry and agrochemical development, this compound integrates readily into complex molecular architectures.
Application
1-(3-Chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid serves as a versatile building block for heterocyclic scaffolds in medicinal chemistry, enabling efficient coupling reactions via its carboxylic acid functionality. The trifluoromethyl and chloropyridine groups confer enhanced metabolic stability and favorable electronic properties, while the pyrazole core offers robust bench stability and compatibility with standard synthetic transformations.
Synthesis
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Route1
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438450-38-5 -
124-38-9 - ~99%
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In-stock
438450-39-6
References
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Lahm, George P.; Selby, Thomas P.; Freudenberger, John H.; Stevenson, Thomas M.; Myers, Brian J.; Seburyamo, Gilles; Smith, Ben K.; Flexner, Lindsey; Clark, Christopher E.; Cordova, Daniel Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 22 p. 4898 - 4906
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Route2
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1352548-01-6
- ~51%
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In-stock
438450-39-6
References
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Zhang, Ji-Feng; Xu, Jun-Ying; Wang, Bao-Lei; Li, Yu-Xin; Xiong, Li-Xia; Li, Yong-Qiang; Ma, Yi; Li, Zheng-Ming Journal of Agricultural and Food Chemistry, 2012 , vol. 60, # 31 p. 7565 - 7572
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Route3
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In-stock
2402-77-9 - ~%
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In-stock
438450-39-6
References
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Lahm, George P.; Selby, Thomas P.; Freudenberger, John H.; Stevenson, Thomas M.; Myers, Brian J.; Seburyamo, Gilles; Smith, Ben K.; Flexner, Lindsey; Clark, Christopher E.; Cordova, Daniel Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 22 p. 4898 - 4906
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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 68.01
- LogP 2.6377
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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