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Home Fluorides 28314-80-9
28314-80-9,MFCD00042398
Catalog No.:AA0032VT

28314-80-9 | 2,4,6-Trifluorobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$6.00   $4.00
- +
5g
95%
in stock  
$14.00   $10.00
- +
10g
95%
in stock  
$24.00   $17.00
- +
25g
95%
in stock  
$46.00   $32.00
- +
100g
95%
in stock  
$160.00   $112.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0032VT
Chemical Name:
2,4,6-Trifluorobenzoic acid
CAS Number:
28314-80-9
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
MDL Number:
MFCD00042398
SMILES:
OC(=O)c1c(F)cc(cc1F)F
Properties
Properties
 
BP:
218.2±35.0°C at 760 mmHg  
Form:
Solid  
MP:
142-145 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Literature

Title: Method for estimating S(N)1 rate constants: solvolytic reactivity of benzoates.

Journal: The Journal of organic chemistry 20121019

Title: 2,4,6-Trifluoro-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110121

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SDS
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Tags:28314-80-9 Molecular Formula|28314-80-9 MDL|28314-80-9 SMILES|28314-80-9 2,4,6-Trifluorobenzoic acid |Fluorinated_Building_Blocks