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Home Nitro Compounds 38858-92-3
38858-92-3,MFCD00159604
Catalog No.:AA00BXP8

38858-92-3 | 3,4-dinitro-1H-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$124.00   $87.00
- +
5g
95%
in stock  
$388.00   $272.00
- +
10g
95%
in stock  
$640.00   $448.00
- +
25g
95%
in stock  
$1,279.00   $895.00
- +
50g
95%
in stock  
$2,046.00   $1,432.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00BXP8
Chemical Name:
3,4-dinitro-1H-pyrazole
CAS Number:
38858-92-3
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
MDL Number:
MFCD00159604
SMILES:
[O-][N+](=O)c1n[nH]cc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
XLogP3:
0.2  

Literature

Title: A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the molecule-cation interaction between the nitro group of 3,4-dinitropyrazole and H+, Li+, Na+, Be2+ or Mg2+.

Journal: Journal of molecular modeling 20120501

Title: Quantum chemical studies on the aminopolynitropyrazoles.

Journal: Journal of molecular modeling 20111001

Title: 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

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SDS
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