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Home Fluorides 461-92-7
461-92-7,MFCD00045107
Catalog No.:AA00DD41

461-92-7 | 1,1,1-Trifluoro-6-methylheptane-2,4-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
99+%
in stock  
$19.00   $14.00
- +
1g
99+%
in stock  
$38.00   $27.00
- +
5g
99+%
in stock  
$171.00   $120.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DD41
Chemical Name:
1,1,1-Trifluoro-6-methylheptane-2,4-dione
CAS Number:
461-92-7
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
MDL Number:
MFCD00045107
SMILES:
CC(CC(=O)CC(=O)C(F)(F)F)C
NSC Number:
42614
Properties
Properties
 
BP:
78 °C(Press: 64 Torr)  
Form:
Liquid  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
206  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Reid;Calvin[JournaloftheAmericanChemicalSociety,1950,vol.72,p.2948,2949]

[2]Sloop,JosephC.;Bumgardner,CarlL.;Loehle,W.David[JournalofFluorineChemistry,2002,vol.118,#1-2,p.135-147]

[3]Yue,EddyW.;Higley,C.Anne;DiMeo,SusanV.;Carini,DavidJ.;Nugiel,DavidA.;Benware,Carrie;Benfield,PamelaA.;Burton,CatherineR.;Cox,Sarah;Grafstrom,RobertH.;Sharp,DianeM.;Sisk,LisaM.;Boylan,JohnF.;Muckelbauer,JodiK.;Smallwood,AngelaM.;Chen,Haiying;Chang,Chong-Hwan;Seitz,StevenP.;Trainor,GeorgeL.[JournalofMedicinalChemistry,2002,vol.45,#24,p.5233-5248]

[4]Sloop,JosephC.;Bumgardner,CarlL.;Washington,Gary;Loehle,W.David;Sankar,SabapathyS.;Lewis,AdamB.[JournalofFluorineChemistry,2006,vol.127,#6,p.780-786]

461-92-7   
i-BuC(SH)CHCOCF3 

[1]Livingstone,S.E.;Saha,N.[AustralianJournalofChemistry,1975,vol.28,p.1249-1258]

[1]Kreutzberger;Leger[ArchivderPharmazie,1982,vol.315,#5,p.438-443]

141-83-3    461-92-7   
4-isobutyl-6-trifluoromethyl-2-ureidopyrimidine 

[1]Kreutzberger,Alfred;Schimmelpfennig,Horst[JournalofFluorineChemistry,1980,vol.15,p.511-518]

[1]Kreutzberger;Schimmelpfennig[ArchivderPharmazie,1981,vol.314,#5,p.385-391]

Literature
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SDS
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Tags:461-92-7 Molecular Formula|461-92-7 MDL|461-92-7 SMILES|461-92-7 1,1,1-Trifluoro-6-methylheptane-2,4-dione |Fluorinated_Building_Blocks