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68683-32-9

68683-32-9 | 1,2-bis(2,4,6-trinitrophenyl)hydrazine

CAS No: 68683-32-9 Catalog No: AG00FL58 MDL No:

Product Description

Catalog Number:
AG00FL58
Chemical Name:
1,2-bis(2,4,6-trinitrophenyl)hydrazine
CAS Number:
68683-32-9
IUPAC Name:
1,2-bis(2,4,6-trinitrophenyl)hydrazine
InChI:
InChI=1S/C12H6N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4,13-14H
InChI Key:
MBDNFKYTGJTTQI-UHFFFAOYSA-N
EC Number:
272-071-8
NSC Number:
133405

Properties

Complexity:
677  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.011g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
454.224g/mol
Monoisotopic Mass:
454.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
299A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
Theoretical studies on vibrational spectra, thermodynamic properties, detonation properties and pyrolysis mechanism for 1,2-bis(2,4,6-trinitrophenyl) hydrazine. Journal of molecular modeling 20120701
Synthesis, characterization and evaluation of 1,2-bis(2,4,6-trinitrophenyl) hydrazine: a key precursor for the synthesis of high performance energetic materials. Journal of hazardous materials 20091215

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