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639784-60-4,MFCD09749421
Catalog No.:AA00ED0O

639784-60-4 | 3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$233.00   $163.00
- +
1g
97%
in stock  
$598.00   $419.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ED0O
Chemical Name:
3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CAS Number:
639784-60-4
Molecular Formula:
C13H11F3N2O2
Molecular Weight:
284.2338
MDL Number:
MFCD09749421
SMILES:
CCOC(=O)c1cc([nH]n1)c1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
341  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:NIPPONCHEMIPHARCOLTD-EP1854784,2007,A1

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page36

[2]Uygun,MeltemTan;Amudi,Karina;Turaçlı,İremDoğan;Menges,Nurettin[MolecularDiversity,2022,vol.26,#1,p.113-124]

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page37]

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page37

639784-60-4   
ETHYL-1-BENZYL-3-(4-TRIFLUOROMETHYLPHENYL)PYRAZOLE-5-CARBOXYLATE 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page39

Literature
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SDS
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Tags:639784-60-4 Molecular Formula|639784-60-4 MDL|639784-60-4 SMILES|639784-60-4 3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester