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645-59-0,MFCD00001961
Catalog No.:AA003JT3

645-59-0 | 3-Phenylpropionitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$64.00   $45.00
- +
25g
>98.0%(GC)
in stock  
$87.00   $61.00
- +
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Technical Information
Catalog Number:
AA003JT3
Chemical Name:
3-Phenylpropionitrile
CAS Number:
645-59-0
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00001961
SMILES:
N#CCCc1ccccc1
NSC Number:
16936
Properties
Properties
 
BP:
113°C at 760 mmHg  
Form:
Liquid  
MP:
-2--1°C(lit.)  
Refractive Index:
n20/D 1.521(lit.)  
Solubility:
1.68g/l (calculated)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
125  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.7  

Literature
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Additional Info:
SDS
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Tags:645-59-0 Molecular Formula|645-59-0 MDL|645-59-0 SMILES|645-59-0 3-Phenylpropionitrile