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Home Fluorides 1691-93-6
1691-93-6,MFCD00143378
Catalog No.:AA001YEE

1691-93-6 | 4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$26.00   $18.00
- +
1g
98%
in stock  
$71.00   $50.00
- +
5g
95%
in stock  
$220.00   $154.00
- +
25g
95%
in stock  
$926.00   $648.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001YEE
Chemical Name:
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone
CAS Number:
1691-93-6
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.2073
MDL Number:
MFCD00143378
SMILES:
O=C(C(F)(F)F)C1C(=NN(C1=O)c1ccccc1)C
Properties
Properties
 
Form:
Solid  
MP:
145-148°C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
437  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Zhang,Anyun;Wanyan,Guanghui;Kumagai,Mikio[JournalofSolutionChemistry,2004,vol.33,#8,p.1017-1028]

thorium 
  1691-93-6   
Th(1-phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one)4 

[1]Nagar,M.S.;Ruikar,P.B.;Subramanian,M.S.[InorganicaChimicaActa,1988,vol.141,p.309-312]

uranyl(VI)nitrate 
  1691-93-6   
U(1-phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one)4 

[1]Nagar,M.S.;Ruikar,P.B.;Subramanian,M.S.[InorganicaChimicaActa,1988,vol.141,p.309-312]

iron(III) 
  1691-93-6   
Fe(C12H8N2O2F3)3 

[1]Uzoukwu,BieluonwuAugustus[IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1991,vol.30,#4,p.372-374]

vanadia 
  1691-93-6   
{VO(C3N2O(CH3)(C6H5)(COCF3))2} 

[1]Uzoukwu,BieluonwuAugustus[SynthesisandReactivityinInorganicandMetal-OrganicChemistry,1992,vol.22,p.185-194]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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