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5097-86-9,MFCD11053882
Catalog No.:AA00DAA8

5097-86-9 | 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$112.00   $78.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DAA8
Chemical Name:
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
CAS Number:
5097-86-9
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD11053882
SMILES:
Clc1ccc(cc1)n1cn[nH]c1=O
Properties
Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Shegal,I.L.etal.[ChemistryofHeterocyclicCompounds,1965,vol.1,p.390-393][KhimiyaGeterotsiklicheskikhSoedinenii,1965,vol.1,p.580-585]

[1]Sattigeri,JitendraA.;Arora,JasbirS.;Verma,AshwaniK.;Malhotra,Sanjay;Salman,Mohammad[SyntheticCommunications,2005,vol.35,#22,p.2939-2943]

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US5371101,1994,A

ρ-toluenesulfonicacid 
  106-47-8    5097-86-9 

[1]CurrentPatentAssignee:ALBEMARLECORP-US5728834,1998,A

Literature
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SDS
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Tags:5097-86-9 Molecular Formula|5097-86-9 MDL|5097-86-9 SMILES|5097-86-9 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one