Home Fluorides 122454-46-0
122454-46-0,MFCD00052146
Catalog No.:AA00176S

122454-46-0 | 4-(Trifluoromethoxy)benzoyl acetonitrile

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100mg
95%
in stock  
$41.00   $29.00
- +
250mg
95%
in stock  
$56.00   $39.00
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1g
95%
in stock  
$68.00   $48.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00176S
Chemical Name:
4-(Trifluoromethoxy)benzoyl acetonitrile
CAS Number:
122454-46-0
Molecular Formula:
C10H6F3NO2
Molecular Weight:
229.1553
MDL Number:
MFCD00052146
SMILES:
N#CCC(=O)c1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Downstream Synthesis Route
4124-41-8    122454-46-0   
Toluene-4-sulfonicacid(Z)-2-cyano-1-(4-trifluoromethoxy-phenyl)-vinylester 

[1]Chen,Ning;Lu,Yuelie;Gadamasetti,Kumar;Hurt,ClarenceR.;Norman,MarkH.;Fotsch,Christopher[JournalofOrganicChemistry,2000,vol.65,#8,p.2603-2605]

1202-31-9    122454-46-0   
(S)-2-5-Amino-3-(4-trifluoromethoxy-phenyl)-pyrazol-1-yl-3-phenyl-propionicacid 

[1]Blass,BenjaminE.;Srivastava,Anil;Coburn,KeithR.;Faulkner,AmyL.;Janusz,JohnJ.;Ridgeway,JamesM.;Seibel,WilliamL.[TetrahedronLetters,2004,vol.45,#3,p.619-621]

[1]AustralianJournalofChemistry,2003,vol.56,p.597-605

[1]Joubran,Lida;Jackson,W.Roy;Campi,EvaM.;Robinson,AndreaJ.;Wells,BradleyA.;Godfrey,PeterD.;Callaway,JenniferK.;Jarrott,Bevyn[AustralianJournalofChemistry,2003,vol.56,#6,p.597-605]

[1]Joubran,Lida;Jackson,W.Roy;Campi,EvaM.;Robinson,AndreaJ.;Wells,BradleyA.;Godfrey,PeterD.;Callaway,JenniferK.;Jarrott,Bevyn[AustralianJournalofChemistry,2003,vol.56,#6,p.597-605]

Literature
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Tags:122454-46-0 Molecular Formula|122454-46-0 MDL|122454-46-0 SMILES|122454-46-0 4-(Trifluoromethoxy)benzoyl acetonitrile