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61226-19-5,MFCD02656670
Catalog No.:AA00EFE4

61226-19-5 | 3,5-Dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$94.00   $66.00
- +
1g
95%
in stock  
$220.00   $154.00
- +
5g
95%
in stock  
$643.00   $450.00
- +
10g
95%
in stock  
$1,000.00   $700.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EFE4
Chemical Name:
3,5-Dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
61226-19-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD02656670
SMILES:
OC(=O)c1c(C)nn(c1C)c1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
196-197℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.4  

Downstream Synthesis Route
61226-19-5    1131-16-4   
methylammoniumcarbonate 

[1]Knorr[ChemischeBerichte,1887,vol.20,p.1104]

[1]CurrentPatentAssignee:UNIVERSITYSYSTEMOFMARYLAND-WO2017/151786,2017,A1Locationinpatent:Paragraph00277;00279

[2]Panizzi[GazzettaChimicaItaliana,1942,vol.72,p.423,428]Richter[HelveticaChimicaActa,1952,vol.35,p.478,483]

[3]Ai,Yong;Sakamuru,Srilatha;Imler,Greg;Xia,Menghang;Xue,Fengtian[BioorganicandMedicinalChemistry,2022,vol.69]

[1]Wrzeciono;Klimczak[Pharmazie,1976,vol.31,#3,p.149-150]

[1]Wrzeciono;Krzysztofik;Bernard;Blumczynska[Pharmazie,1984,vol.39,#8,p.532-534]

[1]Chiriac,C.I.[Synthesis,1986,#9,p.753-755]

Literature
Quotation Request
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Additional Info:
SDS
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Tags:61226-19-5 Molecular Formula|61226-19-5 MDL|61226-19-5 SMILES|61226-19-5 3,5-Dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid