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Home Fluorides 53531-31-0
53531-31-0,MFCD00001258
Catalog No.:AA003NJ2

53531-31-0 | 9-Trifluoroacetylanthracene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)
in stock  
$87.00   $61.00
- +
5g
>98.0%(GC)
in stock  
$246.00   $172.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003NJ2
Chemical Name:
9-Trifluoroacetylanthracene
CAS Number:
53531-31-0
Molecular Formula:
C16H9F3O
Molecular Weight:
274.2373
MDL Number:
MFCD00001258
SMILES:
O=C(C(F)(F)F)c1c2ccccc2cc2c1cccc2
Properties
Properties
 
BP:
386.7°C at 760 mmHg  

Computed Properties
 
Complexity:
354  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
5.3  

Downstream Synthesis Route

[1]OrganicLetters,2002,vol.4,p.4139-4142

[2]JournalofOrganicChemistry,1991,vol.56,p.893-896

[1]JournalofOrganicChemistry,1991,vol.56,p.893-896

[2]Tetrahedron,1993,vol.49,p.1725-1738

[3]SyntheticCommunications,1998,vol.28,p.99-108

[4]JournalofOrganicChemistry,1999,vol.64,p.8794-8800

[1]Chong,J.Michael;Mar,EduardoK.[JournalofOrganicChemistry,1991,vol.56,#2,p.893-896]

Literature

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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SDS
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