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Home Fluorides 115029-22-6
115029-22-6,MFCD00040980
Catalog No.:AA000FO7

115029-22-6 | 2-Fluoro-3-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$16.00   $11.00
- +
25g
98%
in stock  
$23.00   $16.00
- +
100g
98%
in stock  
$89.00   $62.00
- +
500g
98%
in stock  
$417.00   $292.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000FO7
Chemical Name:
2-Fluoro-3-(trifluoromethyl)benzoic acid
CAS Number:
115029-22-6
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD00040980
SMILES:
OC(=O)c1cccc(c1F)C(F)(F)F
Properties
Properties
 
Form:
Solid  
MP:
126-128 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:PFIZERINC-WO2004/31159,2004,A1Locationinpatent:Page26-27

115029-22-6   
methyl2-fluoro-3-(trifluoromethyl)benzoate 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US5965591,1999,A

[1]CurrentPatentAssignee:SANOFI-US5965744,1999,A

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/46735,2006,A1Locationinpatent:Page/Pagecolumn38

54-96-6    115029-22-6   
C13H7F4N3 

[1]Puerstinger,Gerhard;Paeshuyse,Jan;Heinrich,Susanne;Mohr,Joachim;Schraffl,Nicole;DeClercq,Erik;Neyts,Johan[BioorganicandMedicinalChemistryLetters,2007,vol.17,#18,p.5111-5114]

Literature
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Additional Info:
SDS
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