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Home Bromides 187331-46-0
187331-46-0,MFCD11847338
Catalog No.:AA00AMN8

187331-46-0 | Methyl 3-bromo-5-(trifluoromethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$38.00   $27.00
- +
10g
98%
in stock  
$75.00   $53.00
- +
25g
98%
in stock  
$110.00   $77.00
- +
100g
98%
in stock  
$375.00   $263.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AMN8
Chemical Name:
Methyl 3-bromo-5-(trifluoromethyl)benzoate
CAS Number:
187331-46-0
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD11847338
SMILES:
COC(=O)c1cc(Br)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
3.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BAYERAG-WO2004/99197,2004,A2Locationinpatent:Page/Pagecolumn123

67-56-1    328-67-6   
3-bromo-5-trifluoromethylbenzoicacidmethylester 

[1]Patent:US2010/197924,2010,A1.Locationinpatent:Page/Pagecolumn19

[2]Patent:WO2004/99197,2004,A2.Locationinpatent:Page/Pagecolumn122-123

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2010/197924,2010,A1Locationinpatent:Page/Pagecolumn19-20

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2011/146591,2011,A1Locationinpatent:Page/Pagecolumn62-63

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2012/15942,2012,A1Locationinpatent:Page/Pagecolumn65

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2012/15943,2012,A1Locationinpatent:Page/Pagecolumn66

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2011/146591,2011,A1

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2012/15942,2012,A1

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2012/15943,2012,A1

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2012/15942,2012,A1

Literature
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SDS
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Tags:187331-46-0 Molecular Formula|187331-46-0 MDL|187331-46-0 SMILES|187331-46-0 Methyl 3-bromo-5-(trifluoromethyl)benzoate