Home Amines 16588-23-1
16588-23-1,MFCD00768956
Catalog No.:AA001WB1

16588-23-1 | 3-Nitro-4-(phenylamino)benzonitrile

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Purity
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1g
98%
in stock  
$112.00   $78.00
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5g
98%
in stock  
$311.00   $218.00
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10g
98%
in stock  
$477.00   $334.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001WB1
Chemical Name:
3-Nitro-4-(phenylamino)benzonitrile
CAS Number:
16588-23-1
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD00768956
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Properties
Computed Properties
 
Complexity:
338  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Patent:DE723751,1936,    DRP/DRBPOrg.Chem.,

[1]ChemischeBerichte,1890,vol.23,p.3442

[2]ChemischeBerichte,1916,vol.49,p.2230

[1]ChemischeBerichte,1917,vol.50,p.1354

[1]ChemischeBerichte,1917,vol.50,p.1354

Literature

Title: 4-Anilino-3-nitro-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

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SDS
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