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954123-46-7,MFCD11044989
Catalog No.:AA0032MS

954123-46-7 | 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$67.00   $47.00
- +
5g
95%
in stock  
$178.00   $125.00
- +
25g
95%
in stock  
$615.00   $430.00
- +
100g
95%
in stock  
$1,567.00 $1,097.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0032MS
Chemical Name:
1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
CAS Number:
954123-46-7
Molecular Formula:
C8H5Br2F3
Molecular Weight:
317.9285
MDL Number:
MFCD11044989
SMILES:
BrCc1cc(Br)cc(c1)C(F)(F)F
Properties
Properties
 
Form:
Liquid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
169  
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:
4.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn58-59

[1]Chemistry-AEuropeanJournal,2019,vol.25,p.15375-15386

[2]Patent:US2007/249607,2007,A1.Locationinpatent:Page/Pagecolumn62-63

[3]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3039-3043

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn63

[2]Degnan,AndrewP.;Tora,GeorgeO.;Han,Ying;Rajamani,Ramkumar;Bertekap,Robert;Krause,Rudolph;Davis,CarlD.;Hu,Joanna;Morgan,Daniel;Taylor,SarahJ.;Krause,Kelly;Li,Yu-Wen;Mattson,Gail;Cunningham,MelissaA.;Taber,MatthewT.;Lodge,NicholasJ.;Bronson,JoanneJ.;Gillman,KevinW.;Macor,JohnE.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#15,p.3039-3043]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn75

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn92

Literature
Quotation Request
Company Name:
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Contact Person:
*
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Additional Info:
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SDS
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Tags:954123-46-7 Molecular Formula|954123-46-7 MDL|954123-46-7 SMILES|954123-46-7 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
Catalog No.: AA0032MS
954123-46-7,MFCD11044989
954123-46-7 | 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
Pack Size： 1g
Purity： 95%
in stock
$67.00 $47.00
Pack Size： 5g
Purity： 95%
in stock
$178.00 $125.00
Pack Size： 25g
Purity： 95%
in stock
$615.00 $430.00
Pack Size： 100g
Purity： 95%
in stock
$1,567.00 $1,097.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0032MS
Chemical Name: 1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
CAS Number: 954123-46-7
Molecular Formula: C8H5Br2F3
Molecular Weight: 317.9285
MDL Number: MFCD11044989
SMILES: BrCc1cc(Br)cc(c1)C(F)(F)F
Properties
Form: Liquid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 169  
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: 4.1  
Downstream Synthesis Route
954123-46-7    954123-14-9    954123-20-7 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn58-59

172023-97-1    954123-46-7 

[1]Chemistry-AEuropeanJournal,2019,vol.25,p.15375-15386

[2]Patent:US2007/249607,2007,A1.Locationinpatent:Page/Pagecolumn62-63

[3]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3039-3043

954123-46-7    158144-85-5    954123-48-9 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn63

[2]Degnan,AndrewP.;Tora,GeorgeO.;Han,Ying;Rajamani,Ramkumar;Bertekap,Robert;Krause,Rudolph;Davis,CarlD.;Hu,Joanna;Morgan,Daniel;Taylor,SarahJ.;Krause,Kelly;Li,Yu-Wen;Mattson,Gail;Cunningham,MelissaA.;Taber,MatthewT.;Lodge,NicholasJ.;Bronson,JoanneJ.;Gillman,KevinW.;Macor,JohnE.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#15,p.3039-3043]

170291-52-8    954123-46-7    954124-01-7 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn75

954123-46-7    954125-13-4    954125-15-6 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/249607,2007,A1Locationinpatent:Page/Pagecolumn92

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