Home Amines 113170-71-1
113170-71-1,MFCD00042151
Catalog No.:AA008ST7

113170-71-1 | 4-Amino-3-bromo-5-nitrobenzotrifluoride

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1g
98%
in stock  
$32.00   $23.00
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5g
98%
in stock  
$39.00   $28.00
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25g
98%
in stock  
$168.00   $117.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008ST7
Chemical Name:
4-Amino-3-bromo-5-nitrobenzotrifluoride
CAS Number:
113170-71-1
Molecular Formula:
C7H4BrF3N2O2
Molecular Weight:
285.0181
MDL Number:
MFCD00042151
SMILES:
[O-][N+](=O)c1cc(cc(c1N)Br)C(F)(F)F
Properties
Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Koradin,Christopher;Dohle,Wolfgang;Rodriguez,AlainL.;Schmid,Bertram;Knochel,Paul[Tetrahedron,2003,vol.59,#9,p.1571-1587]

113170-71-1   
CASUnavailable 

[1]Koradin,Christopher;Dohle,Wolfgang;Rodriguez,AlainL.;Schmid,Bertram;Knochel,Paul[Tetrahedron,2003,vol.59,#9,p.1571-1587]

CASUnavailable 
 
CASUnavailable 
  113170-71-1    126538-90-7 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US5077297,1991,A

[1]CurrentPatentAssignee:MERCK&COINC-WO2005/65680,2005,A1Locationinpatent:Page/Pagecolumn57

[2]Locationinpatent:schemeortableSinz,Christopher;Chang,Jiang;Lins,AshleyRouse;Brady,Ed;Candelore,Mari;Dallas-Yang,Qing;Ding,Victor;Jiang,Guoqiang;Lin,Zhen;Mock,Steven;Qureshi,Sajjad;Salituro,Gino;Saperstein,Richard;Shang,Jackie;Szalkowski,Deborah;Tota,Laurie;Vincent,Stella;Wright,Michael;Xu,Shiyao;Yang,Xiaodong;Zhang,Bei;Tata,James;Kim,Ronald;Parmee,Emma[BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7131-7136]

[1]Sinz,Christopher;Chang,Jiang;Lins,AshleyRouse;Brady,Ed;Candelore,Mari;Dallas-Yang,Qing;Ding,Victor;Jiang,Guoqiang;Lin,Zhen;Mock,Steven;Qureshi,Sajjad;Salituro,Gino;Saperstein,Richard;Shang,Jackie;Szalkowski,Deborah;Tota,Laurie;Vincent,Stella;Wright,Michael;Xu,Shiyao;Yang,Xiaodong;Zhang,Bei;Tata,James;Kim,Ronald;Parmee,Emma[BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7131-7136]

Literature
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Tags:113170-71-1 Molecular Formula|113170-71-1 MDL|113170-71-1 SMILES|113170-71-1 4-Amino-3-bromo-5-nitrobenzotrifluoride