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32890-87-2,MFCD00042496
Catalog No.:AA003FM3

32890-87-2 | 2,4-Bis(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$6.00   $4.00
- +
1g
95%
in stock  
$9.00   $7.00
- +
5g
95%
in stock  
$34.00   $24.00
- +
100g
98%
in stock  
$643.00   $450.00
- +
  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003FM3
Chemical Name:
2,4-Bis(trifluoromethyl)benzoic acid
CAS Number:
32890-87-2
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
MDL Number:
MFCD00042496
SMILES:
OC(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Properties
 
BP:
219°C at 760 mmHg  
Form:
Solid  
MP:
109-111 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
295  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.2  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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
Tags:32890-87-2 Molecular Formula|32890-87-2 MDL|32890-87-2 SMILES|32890-87-2 2,4-Bis(trifluoromethyl)benzoic acid