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Home Fluorides 55579-69-6
55579-69-6,MFCD00104794
Catalog No.:AA00DB7G

55579-69-6 | 5-[4-(Trifluoromethyl)phenyl]cyclohexane-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$303.00   $212.00
- +
5g
98%
in stock  
$1,009.00   $706.00
- +
10g
98%
in stock  
$1,607.00   $1,125.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DB7G
Chemical Name:
5-[4-(Trifluoromethyl)phenyl]cyclohexane-1,3-dione
CAS Number:
55579-69-6
Molecular Formula:
C13H11F3O2
Molecular Weight:
256.2204
MDL Number:
MFCD00104794
SMILES:
OC1=CC(=O)CC(C1)c1ccc(cc1)C(F)(F)F
Properties
Properties
 
BP:
363.7°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
325  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1992,vol.35,p.3429-3447

[1]JournalofMedicinalChemistry,1992,vol.35,p.3429-3447

[1]JournalofMedicinalChemistry,1992,vol.35,p.3429-3447

[1]JournalofMedicinalChemistry,1992,vol.35,p.3429-3447

[1]JournalofMedicinalChemistry,1992,vol.35,p.3429-3447

Literature

Title: Cyclohexane 1,3-diones and their inhibition of mutant SOD1-dependent protein aggregation and toxicity in PC12 cells.

Journal: Bioorganic & medicinal chemistry 20120115

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SDS
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Tags:55579-69-6 Molecular Formula|55579-69-6 MDL|55579-69-6 SMILES|55579-69-6 5-[4-(Trifluoromethyl)phenyl]cyclohexane-1,3-dione