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Dinitrodurene

CAS No.:
5465-13-4
Catalog Number:
AG003PO9
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$213
- +
Product Description
Catalog Number:
AG003PO9
Chemical Name:
Dinitrodurene
CAS Number:
5465-13-4
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD00007164
IUPAC Name:
1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI:
InChI=1S/C10H12N2O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3
InChI Key:
AEPQXGFMAZTUEA-UHFFFAOYSA-N
SMILES:
Cc1c(C)c([N+](=O)[O-])c(c(c1[N+](=O)[O-])C)C
EC Number:
226-766-8
NSC Number:
28984
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Effect of ortho substitution on the charge localization of dinitrobenzene radical anions. The journal of physical chemistry. A 20110414
Dimorphic forms of 3,6-dinitrodurene in a single space group. Acta crystallographica. Section C, Crystal structure communications 20090401
Study of the effects of ion pairing and activity coefficients on the separation in standard potentials for two-step reduction of dinitroaromatics. The journal of physical chemistry. B 20050804
Properties