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2039-06-7,MFCD00445312
Catalog No.:AA00BRK0

2039-06-7 | 3,5-Diphenyl-4H-1,2,4-triazole

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250mg
95%
in stock  
$15.00   $11.00
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1g
95%
in stock  
$38.00   $27.00
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5g
95%
in stock  
$142.00   $100.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BRK0
Chemical Name:
3,5-Diphenyl-4H-1,2,4-triazole
CAS Number:
2039-06-7
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
MDL Number:
MFCD00445312
SMILES:
c1ccc(cc1)c1nnc([nH]1)c1ccccc1
Properties
Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Wang,Hongyu;Ren,Yanfei;Wang,Kaiye;Man,Yunquan;Xiang,Yanan;Li,Na;Tang,Bo[ChemicalCommunications,2017,vol.53,#69,p.9644-9647]

[2]Atkinson;Polya[JournaloftheChemicalSociety,1954,p.141,142]

1,2-bischloro(phenyl)methylidenehydrazone 
  2039-06-7 

[1]Stolle;Thomae[JournalfurpraktischeChemie(Leipzig1954),1906,vol.<2>73,p.297,298]

[1]Herbst;Garrison[JournalofOrganicChemistry,1953,vol.18,p.872,875,876]

[1]MonatsheftefurChemie,1916,vol.37,p.476

[1]Pinner[ChemischeBerichte,1894,vol.27,p.1007][JustusLiebigsAnnalenderChemie,1897,vol.297,p.265]Pinner[JustusLiebigsAnnalenderChemie,1897,vol.297,p.252,293][ChemischeBerichte,1894,vol.27,p.999]

[2]Pinner[ChemischeBerichte,1894,vol.27,p.1007][JustusLiebigsAnnalenderChemie,1897,vol.297,p.265]Pinner[JustusLiebigsAnnalenderChemie,1897,vol.297,p.252,293][ChemischeBerichte,1894,vol.27,p.999]

[3]Pinner[ChemischeBerichte,1894,vol.27,p.1007][JustusLiebigsAnnalenderChemie,1897,vol.297,p.265]Pinner[JustusLiebigsAnnalenderChemie,1897,vol.297,p.252,293][ChemischeBerichte,1894,vol.27,p.999]

Literature

Title: A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 4(9).6(6) net.

Journal: Chemical communications (Cambridge, England) 20040921

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SDS
Tags:2039-06-7 Molecular Formula|2039-06-7 MDL|2039-06-7 SMILES|2039-06-7 3,5-Diphenyl-4H-1,2,4-triazole