+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Fluorides 115754-21-7
115754-21-7,MFCD00236279
Catalog No.:AA000GRA

115754-21-7 | 3-Fluoro-4-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$8.00   $6.00
- +
5g
98%
in stock  
$12.00   $8.00
- +
10g
98%
in stock  
$13.00   $9.00
- +
25g
98%
in stock  
$22.00   $15.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000GRA
Chemical Name:
3-Fluoro-4-(trifluoromethyl)benzoic acid
CAS Number:
115754-21-7
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD00236279
SMILES:
OC(=O)c1ccc(c(c1)F)C(F)(F)F
Properties
Properties
 
BP:
251℃  
Form:
Solid  
MP:
174-179 °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
3-fluoro-4-(trifluoromethyl)benzoicacid 
  100-51-6    946007-74-5 

[1]Woo,L.W.Lawrence;Bubert,Christian;Sutcliffe,Oliver-B.;Smith,Andrew;Chander,SurinderK.;Mahon,MaryF.;Purohit,Atul;Reed,MichaelJ.;Potter,BarryV.L.[JournalofMedicinalChemistry,2007,vol.50,#15,p.3540-3560]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/154466,2018,A1Locationinpatent:Paragraph001340;001342;001343

[1]Woo,L.W.Lawrence;Bubert,Christian;Sutcliffe,Oliver-B.;Smith,Andrew;Chander,SurinderK.;Mahon,MaryF.;Purohit,Atul;Reed,MichaelJ.;Potter,BarryV.L.[JournalofMedicinalChemistry,2007,vol.50,#15,p.3540-3560]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/154466,2018,A1

[1]Woo,L.W.Lawrence;Bubert,Christian;Sutcliffe,Oliver-B.;Smith,Andrew;Chander,SurinderK.;Mahon,MaryF.;Purohit,Atul;Reed,MichaelJ.;Potter,BarryV.L.[JournalofMedicinalChemistry,2007,vol.50,#15,p.3540-3560]

3-fluoro-4-(trifluoromethyl)benzoicacid 
  230295-16-6 

[1]Patent:EP1362846,2003,A1.Locationinpatent:Page/Pagecolumn119

[2]Patent:WO2014/120748,2014,A1.Locationinpatent:Page/Pagecolumn154

67-56-1   
3-fluoro-4-(trifluoromethyl)benzoicacid 
  276861-63-3 

[1]Patent:US2006/14948,2006,A1.Locationinpatent:Page/Pagecolumn24

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 115754-21-7
115029-24-8

115029-24-8

 204339-72-0

204339-72-0

 230295-16-6

230295-16-6

 261945-09-9

261945-09-9

 261945-05-5

261945-05-5

 261951-80-8

261951-80-8
Building Blocks
More >
Tags:115754-21-7 Molecular Formula|115754-21-7 MDL|115754-21-7 SMILES|115754-21-7 3-Fluoro-4-(trifluoromethyl)benzoic acid |Fluorinated_Building_Blocks