Lot numbers can be found on the outside label of a product:
3-Methyl-5-phenyl-1h-1,2,4-triazole
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CAS No. 3213-91-0
- Cat. No. CS-0216854
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 3213-91-0
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General Information
- CAS No. 3213-91-0
- Cat. No. CS-0216854
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉N₃
- Molecular Weight 159.19
- Synonym(s) 5-Methyl-3-phenyl-1H-1,2,4-triazol
- SMILES CC1=NNC(C2=CC=CC=C2)=N1
Description
3-Methyl-5-phenyl-1H-1,2,4-triazole features a rigid heterocyclic core with distinct electron-rich triazole functionality and a phenyl substituent enhancing π-conjugation. This bench-stable compound integrates readily into molecular scaffolds for medicinal chemistry and materials science applications.
Application
3-Methyl-5-phenyl-1H-1,2,4-triazole serves as a versatile heterocyclic building block in medicinal chemistry and catalysis. Its electron-rich triazole core enables reliable coupling reactions and metal coordination, while the methyl and phenyl substituents provide steric and electronic modulation. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for use in API intermediate synthesis and ligand development.
Synthesis
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Route1
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124-42-5 -
100-47-0
- ~79%
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In-stock
3213-91-0
References
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Meng, Xu; Yu, Chaoying; Zhao, Peiqing RSC Advances, 2014 , vol. 4, # 17 p. 8612 - 8616
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References
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F. HOFFMANN-LA ROCHE AG; BACHMANN, Stephan; FLOHR, Alexander; GROEBKE ZBINDEN, Katrin; KOERNER, Matthias; KUHN, Bernd; PETERS, Jens-Uwe; RUDOLPH, Markus Patent: WO2013/34506 A1, 2013 ; Location in patent: Page/Page column 61 ;
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Route3
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In-stock
1670-14-0 -
75-05-8
- ~52%
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In-stock
3213-91-0
References
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Ueda, Satoshi; Nagasawa, Hideko Journal of the American Chemical Society, 2009 , vol. 131, # 42 p. 15080 - 15081
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 41.57
- LogP 1.78012
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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