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480438-96-8,MFCD03094249
Catalog No.:AA006XY5

480438-96-8 | 2-Bromo-4-(trifluoromethyl)benzyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98+%
in stock  
$22.00   $16.00
- +
1g
98+%
in stock  
$39.00   $27.00
- +
5g
98+%
in stock  
$52.00   $37.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006XY5
Chemical Name:
2-Bromo-4-(trifluoromethyl)benzyl chloride
CAS Number:
480438-96-8
Molecular Formula:
C8H5BrClF3
Molecular Weight:
273.4775
MDL Number:
MFCD03094249
SMILES:
ClCc1ccc(cc1Br)C(F)(F)F
Properties
Computed Properties
 
Complexity:
171  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:INCYTECORP-US2005/261310,2005,A1Locationinpatent:Page/Pagecolumn22

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.9519-9522

[2]AngewandteChemie-InternationalEdition,2019,vol.58,p.1366-1370    Angew.Chem.,2019,vol.131,p.1380-1384,5

480438-96-8    124-40-3   
1-(2-bromo-4-(trifluoromethyl)phenyl)-N,N-dimethylmethanamine 

[1]Aichhorn,Stefan;Bigler,Raphael;Myers,EddieL.;Aggarwal,VarinderK.[JournaloftheAmericanChemicalSociety,2017,vol.139,#28,p.9519-9522]

[2]Rubial,Belén;Collins,BeatriceS.L.;Bigler,Raphael;Aichhorn,Stefan;Noble,Adam;Aggarwal,VarinderK.[AngewandteChemie-InternationalEdition,2019,vol.58,#5,p.1366-1370][Angew.Chem.,2019,vol.131,p.1380-1384,5]

480438-96-8   
C20H28BF3O2 

[1]Aichhorn,Stefan;Bigler,Raphael;Myers,EddieL.;Aggarwal,VarinderK.[JournaloftheAmericanChemicalSociety,2017,vol.139,#28,p.9519-9522]

480438-96-8   
2-(2-cyclohexyl-4-(trifluoromethyl)benzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 

[1]Aichhorn,Stefan;Bigler,Raphael;Myers,EddieL.;Aggarwal,VarinderK.[JournaloftheAmericanChemicalSociety,2017,vol.139,#28,p.9519-9522]

Literature
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SDS
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Tags:480438-96-8 Molecular Formula|480438-96-8 MDL|480438-96-8 SMILES|480438-96-8 2-Bromo-4-(trifluoromethyl)benzyl chloride
Catalog No.: AA006XY5
480438-96-8,MFCD03094249
480438-96-8 | 2-Bromo-4-(trifluoromethyl)benzyl chloride
Pack Size： 250mg
Purity： 98+%
in stock
$22.00 $16.00
Pack Size： 1g
Purity： 98+%
in stock
$39.00 $27.00
Pack Size： 5g
Purity： 98+%
in stock
$52.00 $37.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA006XY5
Chemical Name: 2-Bromo-4-(trifluoromethyl)benzyl chloride
CAS Number: 480438-96-8
Molecular Formula: C8H5BrClF3
Molecular Weight: 273.4775
MDL Number: MFCD03094249
SMILES: ClCc1ccc(cc1Br)C(F)(F)F
Properties
Complexity: 171  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
480438-96-8    68755-34-0 

[1]CurrentPatentAssignee:INCYTECORP-US2005/261310,2005,A1Locationinpatent:Page/Pagecolumn22

497959-33-8    480438-96-8 

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,p.9519-9522

[2]AngewandteChemie-InternationalEdition,2019,vol.58,p.1366-1370    Angew.Chem.,2019,vol.131,p.1380-1384,5

480438-96-8    124-40-3   
1-(2-bromo-4-(trifluoromethyl)phenyl)-N,N-dimethylmethanamine 

[1]Aichhorn,Stefan;Bigler,Raphael;Myers,EddieL.;Aggarwal,VarinderK.[JournaloftheAmericanChemicalSociety,2017,vol.139,#28,p.9519-9522]

[2]Rubial,Belén;Collins,BeatriceS.L.;Bigler,Raphael;Aichhorn,Stefan;Noble,Adam;Aggarwal,VarinderK.[AngewandteChemie-InternationalEdition,2019,vol.58,#5,p.1366-1370][Angew.Chem.,2019,vol.131,p.1380-1384,5]

480438-96-8   
C20H28BF3O2 

[1]Aichhorn,Stefan;Bigler,Raphael;Myers,EddieL.;Aggarwal,VarinderK.[JournaloftheAmericanChemicalSociety,2017,vol.139,#28,p.9519-9522]

480438-96-8   
2-(2-cyclohexyl-4-(trifluoromethyl)benzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 

[1]Aichhorn,Stefan;Bigler,Raphael;Myers,EddieL.;Aggarwal,VarinderK.[JournaloftheAmericanChemicalSociety,2017,vol.139,#28,p.9519-9522]

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