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1026355-57-6,MFCD09999461
Catalog No.:AA0007WV

1026355-57-6 | Methyl 2-bromo-5-(trifluoromethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95+%
in stock  
$58.00   $40.00
- +
1g
98%
in stock  
$67.00   $47.00
- +
5g
98%
in stock  
$208.00   $146.00
- +
25g
98%
in stock  
$797.00   $558.00
- +
100g
98%
in stock  
$2,362.00 $1,654.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0007WV
Chemical Name:
Methyl 2-bromo-5-(trifluoromethyl)benzoate
CAS Number:
1026355-57-6
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD09999461
SMILES:
COC(=O)c1cc(ccc1Br)C(F)(F)F
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

67-56-1    1483-56-3   
methyl2-bromo-5-(trifluoromethyl)benzoate 

[1]JournalofCombinatorialChemistry,2010,vol.12,p.664-669

[2]JournalofOrganicChemistry,2013,vol.78,p.6735-6745

[3]Chemistry-AEuropeanJournal,2015,vol.21,p.9426-9439

[4]Chemistry-AEuropeanJournal,2015,vol.21,p.7030-7034

[5]Tetrahedron,2016,vol.72,p.3454-3467

[6]Patent:EP3150578,2017,A1.Locationinpatent:Paragraph0608

Literature
Quotation Request
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SDS
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Tags:1026355-57-6 Molecular Formula|1026355-57-6 MDL|1026355-57-6 SMILES|1026355-57-6 Methyl 2-bromo-5-(trifluoromethyl)benzoate
Catalog No.: AA0007WV
1026355-57-6,MFCD09999461
1026355-57-6 | Methyl 2-bromo-5-(trifluoromethyl)benzoate
Pack Size： 250mg
Purity： 95+%
in stock
$58.00 $40.00
Pack Size： 1g
Purity： 98%
in stock
$67.00 $47.00
Pack Size： 5g
Purity： 98%
in stock
$208.00 $146.00
Pack Size： 25g
Purity： 98%
in stock
$797.00 $558.00
Pack Size： 100g
Purity： 98%
in stock
$2,362.00 $1,654.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0007WV
Chemical Name: Methyl 2-bromo-5-(trifluoromethyl)benzoate
CAS Number: 1026355-57-6
Molecular Formula: C9H6BrF3O2
Molecular Weight: 283.0419
MDL Number: MFCD09999461
SMILES: COC(=O)c1cc(ccc1Br)C(F)(F)F
Properties
Complexity: 242  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
128796-39-4    1026355-57-6    1261497-59-9 

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

1026355-57-6    1261801-59-5 

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

1026355-57-6    731842-60-7 

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

1026355-57-6    256397-40-7 

[1]Ksander;DeJesus;Yuan;Fink;Moskal;Carlson;Kukkola;Bilci;Wallace;Neubert;Feldman;Mogelesky;Poirier;Jeune;Steele;Wasvery;Stephan;Cahill;Webb;Navarrete;Lee;Gibson;Alexander;Sharif;Hospattankar[JournalofMedicinalChemistry,2001,vol.44,#26,p.4677-4687]

67-56-1    1483-56-3   
methyl2-bromo-5-(trifluoromethyl)benzoate 

[1]JournalofCombinatorialChemistry,2010,vol.12,p.664-669

[2]JournalofOrganicChemistry,2013,vol.78,p.6735-6745

[3]Chemistry-AEuropeanJournal,2015,vol.21,p.9426-9439

[4]Chemistry-AEuropeanJournal,2015,vol.21,p.7030-7034

[5]Tetrahedron,2016,vol.72,p.3454-3467

[6]Patent:EP3150578,2017,A1.Locationinpatent:Paragraph0608

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474711-91-6
474711-91-6
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