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117482-84-5,MFCD00015431
Catalog No.:AA000E9O

117482-84-5 | 3-chloro-4-fluorobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$7.00   $5.00
- +
10g
97%
in stock  
$9.00   $7.00
- +
25g
97%
in stock  
$18.00   $13.00
- +
100g
97%
in stock  
$53.00   $37.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000E9O
Chemical Name:
3-chloro-4-fluorobenzonitrile
CAS Number:
117482-84-5
Molecular Formula:
C7H3ClFN
Molecular Weight:
155.5568
MDL Number:
MFCD00015431
SMILES:
N#Cc1ccc(c(c1)Cl)F
Properties
Properties
 
BP:
213.6 °C at 760 mmHg  
Form:
Solid  
MP:
69-71 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
2.5  

Literature

Title: Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201

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SDS
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