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Home Fluorides 654-99-9
654-99-9,MFCD18208176
Catalog No.:AA003MNR

654-99-9 | 5-Fluoro-2-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$6.00   $4.00
- +
250mg
98%
in stock  
$11.00   $8.00
- +
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$27.00   $19.00
- +
10g
98%
in stock  
$53.00   $37.00
- +
100g
95%
in stock  
$508.00   $356.00
- +
500g
98%
in stock  
$2,140.00   $1,498.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MNR
Chemical Name:
5-Fluoro-2-(trifluoromethyl)benzoic acid
CAS Number:
654-99-9
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD18208176
SMILES:
Fc1ccc(c(c1)C(=O)O)C(F)(F)F
Properties
Properties
 
BP:
238.2°C at 760 mmHg  
Form:
Solid  
MP:
80-83 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

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
425-75-2    654-99-9   
5-Fluoro-4-nitro-2-trifluoromethyl-benzoicacidethylester 
 
3-Fluoro-2-nitro-6-trifluoromethyl-benzoicacidethylester 

[1]JournalofAgriculturalandFoodChemistry,1996,vol.44,p.3643-3652

654-99-9   
3-Fluoro-2-nitro-6-trifluoromethyl-benzoicacid 
 
5-Fluoro-4-nitro-2-trifluoromethyl-benzoicacid 

[1]JournalofAgriculturalandFoodChemistry,1996,vol.44,p.3643-3652

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.654-657

[1]Patent:US2009/239848,2009,A1.Locationinpatent:Page/Pagecolumn11

Literature
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Additional Info:
SDS
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Tags:654-99-9 Molecular Formula|654-99-9 MDL|654-99-9 SMILES|654-99-9 5-Fluoro-2-(trifluoromethyl)benzoic acid |Halogenated_Heterocycles