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40888-26-4,MFCD08703475
Catalog No.:AA00C89K

40888-26-4 | 2-Ethynylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$54.00   $38.00
- +
5g
98%
in stock  
$776.00   $544.00
- +
25g
98%
in stock  
$2,672.00   $1,870.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00C89K
Chemical Name:
2-Ethynylbenzonitrile
CAS Number:
40888-26-4
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
MDL Number:
MFCD08703475
SMILES:
N#Cc1ccccc1C#C
Properties
Properties
 
BP:
246.75°C at 760 mmHg  
Form:
Solid  
MP:
76℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
199  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.1  

Literature

Title: A chemical dynamics, kinetics, and theoretical study on the reaction of the cyano radical (CN; X(2)Sigma+) with phenylacetylene (C6H5CCH; X(1)A1).

Journal: Physical chemistry chemical physics : PCCP 20100821

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