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23195-59-7,MFCD01939280
Catalog No.:AA00I4GG

23195-59-7 | 3-(4-Chlorophenyl)-4H-1,2,4-triazole

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250mg
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1g
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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:
AA00I4GG
Chemical Name:
3-(4-Chlorophenyl)-4H-1,2,4-triazole
CAS Number:
23195-59-7
Molecular Formula:
C8H6ClN3
Molecular Weight:
179.6063
MDL Number:
MFCD01939280
SMILES:
Clc1ccc(cc1)c1[nH]cnn1
Properties
Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Hoggarth[JournaloftheChemicalSociety,1949,p.1163,1167][JournaloftheChemicalSociety,1950,p.1579,1581]

[1]Robev,StefanK.[TetrahedronLetters,1982,vol.23,#28,p.2903-2906]

[1]Glinka,J.;Fiscus,D.;Rao,C.B.;Shechter,H.[TetrahedronLetters,1987,vol.28,#28,p.3221-3224]

[1]Hoggarth[JournaloftheChemicalSociety,1949,p.1163,1167][JournaloftheChemicalSociety,1950,p.1579,1581]

[1]Hoggarth[JournaloftheChemicalSociety,1949,p.1163,1167][JournaloftheChemicalSociety,1950,p.1579,1581]

[2]Hoggarth[JournaloftheChemicalSociety,1949,p.1163,1167][JournaloftheChemicalSociety,1950,p.1579,1581]

Literature

Title: Di-μ-aqua-bis-[diaqua-bis(thio-cyanato-κN)iron(II)] 4-(4-chloro-phen-yl)-1,2,4-triazole hexa-solvate.

Journal: Acta crystallographica. Section E, Structure reports online 20080801

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SDS
Tags:23195-59-7 Molecular Formula|23195-59-7 MDL|23195-59-7 SMILES|23195-59-7 3-(4-Chlorophenyl)-4H-1,2,4-triazole