112055-36-4,MFCD00052074
Catalog No.:AA007UO3

112055-36-4 | Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
in stock  
$79.00   $55.00
- +
1g
≥ 98% (HPLC)
in stock  
$115.00   $81.00
- +
5g
≥ 98% (HPLC)
in stock  
$368.00   $258.00
- +
25g
≥ 98% (HPLC)
in stock  
$1,198.00   $839.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007UO3
Chemical Name:
Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
CAS Number:
112055-36-4
Molecular Formula:
C13H10ClF3N2O2
Molecular Weight:
318.6789
MDL Number:
MFCD00052074
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
373  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]Zeng,Huanan;Zhang,Wei;Wang,Zhengxing;Geng,Wang;Feng,Gang;Gan,Xiuhai[JournalofAgriculturalandFoodChemistry,2022,vol.70,#24,p.7400-7411]

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]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]

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

112055-36-4   
1-(4-Chloro-phenyl)-5-trifluoromethyl-1H-pyrazol-4-yl-imidazol-1-yl-methanone 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

112055-36-4   
C16H10ClF3N4O 

[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
Tags:112055-36-4 Molecular Formula|112055-36-4 MDL|112055-36-4 SMILES|112055-36-4 Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
Catalog No.: AA007UO3
112055-36-4,MFCD00052074
112055-36-4 | Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
Pack Size: 250mg
Purity:
in stock
$79.00 $55.00
Pack Size: 1g
Purity: ≥ 98% (HPLC)
in stock
$115.00 $81.00
Pack Size: 5g
Purity: ≥ 98% (HPLC)
in stock
$368.00 $258.00
Pack Size: 25g
Purity: ≥ 98% (HPLC)
in stock
$1,198.00 $839.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007UO3
Chemical Name: Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
CAS Number: 112055-36-4
Molecular Formula: C13H10ClF3N2O2
Molecular Weight: 318.6789
MDL Number: MFCD00052074
SMILES: CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)Cl
Properties
Complexity: 373  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
571-55-1    1073-70-7    112055-36-4 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]Zeng,Huanan;Zhang,Wei;Wang,Zhengxing;Geng,Wang;Feng,Gang;Gan,Xiuhai[JournalofAgriculturalandFoodChemistry,2022,vol.70,#24,p.7400-7411]

112055-36-4    98534-80-6 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]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]

112055-36-4    98534-25-9 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

112055-36-4   
1-(4-Chloro-phenyl)-5-trifluoromethyl-1H-pyrazol-4-yl-imidazol-1-yl-methanone 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

112055-36-4   
C16H10ClF3N4O 

[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]

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