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Home Nitros 4,4'-Dinitrobiphenyl

4,4'-Dinitrobiphenyl

CAS No.:
1528-74-1
Catalog Number:
AG003KG9
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$43
- +
5g
95%
In Stock USA
United States
$132
- +
25g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003KG9
Chemical Name:
4,4'-Dinitrobiphenyl
CAS Number:
1528-74-1
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
MDL Number:
MFCD00039744
IUPAC Name:
1-nitro-4-(4-nitrophenyl)benzene
InChI:
InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H
InChI Key:
BDLNCFCZHNKBGI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
EC Number:
216-210-2
UNII:
6X8N704C9U
NSC Number:
8738
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.048g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.206g/mol
Monoisotopic Mass:
244.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Co-crystals: a novel approach to modify physicochemical properties of active pharmaceutical ingredients. Indian journal of pharmaceutical sciences 20090101
Interpretation of mixed-valence compound optical spectra near the class II/III border: dinitrobiphenyl and dinitrophenanthrene radical anions. The journal of physical chemistry. A 20081211
Optical spectra of delocalized dinitroaromatic radical anions revisited. Journal of the American Chemical Society 20050803
Benzidine photodegradation: a mass spectrometry and UV spectroscopy combined study. Rapid communications in mass spectrometry : RCM 20050101
Bisguanidine, bis(2-aminoimidazoline), and polyamine derivatives as potent and selective chemotherapeutic agents against Trypanosoma brucei rhodesiense. Synthesis and in vitro evaluation. Journal of medicinal chemistry 20040422
Intervalence near-IR spectra of delocalized dinitroaromatic radical anions. Journal of the American Chemical Society 20031015
Properties