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98534-84-0,MFCD03934805
Catalog No.:AA005UC7

98534-84-0 | 1-(4-Methylphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
in stock  
$136.00   $95.00
- +
5g
≥ 98% (HPLC)
in stock  
$471.00   $330.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005UC7
Chemical Name:
1-(4-Methylphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
98534-84-0
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.2073
MDL Number:
MFCD03934805
SMILES:
Cc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Properties
Properties
 
BP:
377.8±42.0 °C(Predicted)  
Form:
Solid  
MP:
151-155 °C(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
340  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route
98534-84-0   
N-(5-amino-2-fluorophenyl)acrylamide 
 
N-(3-acrylamido-4-fluorophenyl)-1-(p-tolyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide 

[1]CurrentPatentAssignee:NOVARTISAG;UNIVERSITYOFCALIFORNIA;Novartis(w/oSandoz)-WO2020/146779,2020,A1Locationinpatent:Paragraph0612-0613

98534-84-0   
C17H12ClF3N4O 

[1]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

98534-84-0   
C17H13F3N4O 

[1]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

98534-84-0   
C18H15F3N4O 

[1]Wu,Zhibing;Park,Hyung-Yeon;Xie,Dewen;Yang,Jingxin;Hou,Shuaitao;Shahzad,Nasir;Kim,ChanKyung;Yang,Song[JournalofAgriculturalandFoodChemistry,2021,vol.69,#4,p.1214-1223]

Literature
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SDS
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