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Home Nitros 1,5-Dinitronaphthalene

1,5-Dinitronaphthalene

CAS No.:
605-71-0
Catalog Number:
AG003DQK
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$32
- +
100g
95%forsynthesis
In Stock USA
United States
$75
- +
500g
95%forsynthesis
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG003DQK
Chemical Name:
1,5-Dinitronaphthalene
CAS Number:
605-71-0
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
MDL Number:
MFCD06659932
IUPAC Name:
1,5-dinitronaphthalene
InChI:
InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
InChI Key:
ZUTCJXFCHHDFJS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-]
UNII:
UI2S14IW4T
NSC Number:
20593
UN Number:
2811
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Comment on: 'FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene' by Arivazhaga et al. [Spectrochim. Acta A72 (2009) 941-946]. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100401
FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090601
Photocatalytic oxidation of dinitronaphthalenes: theory and experiment. Chemosphere 20090501
Nitropolycyclic aromatic hydrocarbons are inducers of mitotic homologous recombination in the wing-spot test of Drosophila melanogaster. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20080701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Intervalence near-IR spectra of delocalized dinitroaromatic radical anions. Journal of the American Chemical Society 20031015
Modular synthesis of pi-acceptor cyclophanes derived from 1,4,5,8-naphthalenetetracarboxylic diimide and 1,5-dinitronaphthalene. The Journal of organic chemistry 20010504
Properties