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Home Fluorides 725-89-3
725-89-3,MFCD00000388
Catalog No.:AA003IH7

725-89-3 | 3,5-Bis(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$24.00   $17.00
- +
100g
98%
in stock  
$52.00   $36.00
- +
  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IH7
Chemical Name:
3,5-Bis(trifluoromethyl)benzoic acid
CAS Number:
725-89-3
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
MDL Number:
MFCD00000388
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NSC Number:
88282
Properties
Properties
 
BP:
223.9 °C at 760 mmHg  
Form:
Solid  
MP:
142-143 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
273  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.8  

Literature

Title: Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20020701

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SDS
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Tags:725-89-3 Molecular Formula|725-89-3 MDL|725-89-3 SMILES|725-89-3 3,5-Bis(trifluoromethyl)benzoic acid |Fluorinated_Building_Blocks