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Home Boronic Acids 957062-66-7
957062-66-7,MFCD09878337
Catalog No.:AA00H80X

957062-66-7 | 3-Hydroxy-5-(trifluoromethyl)phenylboronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$51.00   $36.00
- +
1g
98%
in stock  
$136.00   $96.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00H80X
Chemical Name:
3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
CAS Number:
957062-66-7
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD09878337
SMILES:
Oc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Properties
 
BP:
362.5°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
197  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:LEOFONDET-US2012/129926,2012,A1

[1]CurrentPatentAssignee:LEOFONDET-US2012/129926,2012,A1Locationinpatent:Page/Pagecolumn20

[1]Erra,Montse;Taltavull,Joan;Bernal,FranciscoJavier;Caturla,JuanFrancisco;Carrascal,Marta;Pagès,Lluís;Mir,Marta;Espinosa,Sònia;Gràcia,Jordi;Domínguez,María;Sabaté,Mar;Paris,Stéphane;Maldonado,Mónica;Hernández,Begona;Bravo,Mónica;Calama,Elena;Miralpeix,Montserrat;Lehner,MartinD.;Calbet,Marta[JournalofMedicinalChemistry,2018,vol.61,#21,p.9551-9567]

381233-96-1    957062-66-7   
4-(6-amino-5-(3-hydroxy-5-(trifluoromethyl)phenyl)pyridin-3-yl)-2,6-difluorophenol 

[1]Serafim,RicardoA.M.;DeSouzaGama,FernandoH.;Dutra,LuizA.;DosReis,CaioV.;Vasconcelos,StanleyN.S.;DaSilvaSantiago,André;Takarada,JéssicaE.;DiPillo,Fúlvia;Azevedo,Hatylas;Mascarello,Alessandra;Elkins,JonathanM.;Massirer,KatlinB.;Gileadi,Opher;Guimarães,CristianoR.W.;Couñago,RafaelM.[ACSMedicinalChemistryLetters,2019,vol.10,#9,p.1266-1271]

381233-96-1    957062-66-7   
C12H8BrF3N2O 

[1]Serafim,RicardoA.M.;DeSouzaGama,FernandoH.;Dutra,LuizA.;DosReis,CaioV.;Vasconcelos,StanleyN.S.;DaSilvaSantiago,André;Takarada,JéssicaE.;DiPillo,Fúlvia;Azevedo,Hatylas;Mascarello,Alessandra;Elkins,JonathanM.;Massirer,KatlinB.;Gileadi,Opher;Guimarães,CristianoR.W.;Couñago,RafaelM.[ACSMedicinalChemistryLetters,2019,vol.10,#9,p.1266-1271]

Literature
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SDS
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Tags:957062-66-7 Molecular Formula|957062-66-7 MDL|957062-66-7 SMILES|957062-66-7 3-Hydroxy-5-(trifluoromethyl)phenylboronic acid