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542-76-7,MFCD00001952
Catalog No.:AA00DDQ1

542-76-7 | 3-Chloropropionitrile

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Purity
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Quantity
  
1g
95%
in stock  
$18.00   $13.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DDQ1
Chemical Name:
3-Chloropropionitrile
CAS Number:
542-76-7
Molecular Formula:
C3H4ClN
Molecular Weight:
89.5236
MDL Number:
MFCD00001952
SMILES:
ClCCC#N
NSC Number:
2588
Properties
Properties
 
BP:
175.5°C  
Form:
Solid  
MP:
−52-−50 °C(lit.)  
Refractive Index:
n20/D 1.438(lit.)  
Solubility:
45g/l  
Storage:
Room Temperature;Keep container tightly closed;  

Computed Properties
 
Complexity:
51.2  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.2  

Literature

Title: 3-(1,3-Dioxoisoindolin-2-yl)propane-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Sum-over-states calculation of the specific rotations of some substituted oxiranes, chloropropionitrile, ethane, and norbornenone.

Journal: The journal of physical chemistry. A 20061228

Title: The true nature of the Di-iron(III) gamma-Keggin structure in water: catalytic aerobic oxidation and chemistry of an unsymmetrical trimer.

Journal: Journal of the American Chemical Society 20060830

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