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Home Fluorides 402-54-0
402-54-0,MFCD00007358
Catalog No.:AA00I7TE

402-54-0 | 1-Nitro-4-(trifluoromethyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
10g
95
in stock  
$184.00   $129.00
- +
50g
95
in stock  
$565.00   $395.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00I7TE
Chemical Name:
1-Nitro-4-(trifluoromethyl)benzene
CAS Number:
402-54-0
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD00007358
SMILES:
[O-][N+](=O)c1ccc(cc1)C(F)(F)F
NSC Number:
159121
UN Number:
2306
Properties
Properties
 
BP:
81-83 °C10 mm Hg(lit.)  
Form:
Solid  
MP:
37-42 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
XLogP3:
2.5  

Literature

Title: Theoretical investigations of α,α,α-trifluoro-3, -p and o-nitrotoluene by means of density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101

Title: Four trifluoromethylnitrobenzene analogues.

Journal: Acta crystallographica. Section C, Crystal structure communications 20040101

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SDS
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