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

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$112.00   $78.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
10g
98%
in stock  
$477.00 $334.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
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]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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Tags:16588-23-1 Molecular Formula|16588-23-1 MDL|16588-23-1 SMILES|16588-23-1 3-Nitro-4-(phenylamino)benzonitrile
Catalog No.: AA001WB1
16588-23-1,MFCD00768956
16588-23-1 | 3-Nitro-4-(phenylamino)benzonitrile
Pack Size： 1g
Purity： 98%
in stock
$112.00 $78.00
Pack Size： 5g
Purity： 98%
in stock
$311.00 $218.00
Pack Size： 10g
Purity： 98%
in stock
$477.00 $334.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 338  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
939-80-0    62-53-3    16588-23-1 

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

89642-49-9    62-53-3    16588-23-1 

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

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

3272-08-0    98-59-9    16588-23-1 

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

89642-49-9    16588-23-1 

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

Literature fold

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

Journal: Acta crystallographica. Section E, Structure reports online20101201

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