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939-80-0,MFCD00016987
Catalog No.:AA003L2F

939-80-0 | 4-Chloro-3-nitrobenzonitrile

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Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$6.00   $4.00
- +
10g
97%
in stock  
$9.00   $7.00
- +
25g
97%
in stock  
$18.00   $13.00
- +
100g
97%
in stock  
$62.00   $43.00
- +
500g
97%
in stock  
$268.00   $188.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003L2F
Chemical Name:
4-Chloro-3-nitrobenzonitrile
CAS Number:
939-80-0
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD00016987
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Properties
 
BP:
284.758 °C at 760 mmHg  
Form:
Solid  
MP:
98-100 °C(lit.)  
Refractive Index:
1.5557 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
2  

Literature

Title: 4-Isopropyl-amino-3-nitro-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing.

Journal: Journal of medicinal chemistry 20111222

Title: 3-Nitro-4-(propyl-amino)-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity.

Journal: PloS one 20090101

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

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: Nitrobenzene compounds inhibit expression of VCAM-1.

Journal: Bioorganic & medicinal chemistry letters 20010723

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