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Home Boronic Acids 176976-42-4
176976-42-4,MFCD03094999
Catalog No.:AA0024XZ

176976-42-4 | 4-Chloro-3-trifluoromethylphenylboronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$22.00   $15.00
- +
10g
97%
in stock  
$42.00   $29.00
- +
25g
97%
in stock  
$75.00   $53.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0024XZ
Chemical Name:
4-Chloro-3-trifluoromethylphenylboronic acid
CAS Number:
176976-42-4
Molecular Formula:
C7H5BClF3O2
Molecular Weight:
224.3726
MDL Number:
MFCD03094999
SMILES:
OB(c1ccc(c(c1)C(F)(F)F)Cl)O
Properties
Properties
 
BP:
304.3°C at 760 mmHg  
Form:
Solid  
MP:
135-137°C(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  

Downstream Synthesis Route
176976-42-4   
CASUnavailable 
 
CASUnavailable 

[1]CurrentPatentAssignee:MERCK&COINC-WO2007/111864,2007,A2Locationinpatent:Page/Pagecolumn45-46

[1]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2008/71405,2008,A1Locationinpatent:Page/Pagecolumn67

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC;GLAXOSMITHKLINEPLC-US2009/105344,2009,A1Locationinpatent:Page/Pagecolumn16

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2009/52341,2009,A1Locationinpatent:Page/Pagecolumn100

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2264017,2010,A1Locationinpatent:Page/Pagecolumn136

[1]Theeramunkong,Sewan;Caldarelli,Antonio;Massarotti,Alberto;Aprile,Silvio;Caprioglio,Diego;Zaninetti,Roberta;Teruggi,Alessia;Pirali,Tracey;Grosa,Giorgio;Tron,GianCesare;Genazzani,ArmandoA.[JournalofMedicinalChemistry,2011,vol.54,#14,p.4977-4986]

Literature
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SDS
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