Home Nitros 1-Bromo-2,4-dinitrobenzene

1-Bromo-2,4-dinitrobenzene

CAS No.:
584-48-5
Catalog Number:
AG003E2X
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%forsynthesis
In Stock USA
United States
$54
- +
25g
95%forsynthesis
In Stock USA
United States
$116
- +
100g
95%forsynthesis
In Stock USA
United States
$251
- +
Product Description
Catalog Number:
AG003E2X
Chemical Name:
1-Bromo-2,4-dinitrobenzene
CAS Number:
584-48-5
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
MDL Number:
MFCD00041873
IUPAC Name:
1-bromo-2,4-dinitrobenzene
InChI:
InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChI Key:
PBOPJYORIDJAFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br
EC Number:
209-539-8
UNII:
4MS3FTW380
NSC Number:
3808
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.928g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.004g/mol
Monoisotopic Mass:
245.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Glutathione metabolism in the HaCaT cell line as a model for the detoxification of the model sensitisers 2,4-dinitrohalobenzenes in human skin. Toxicology letters 20150819
Time dependence in mixture toxicity with soft electrophiles: 1. Combined effects of selected SN2- and SNAr-reactive agents with a nonpolar narcotic. Archives of environmental contamination and toxicology 20070401
Synthesis of N,N-dimethyl-2-(2-amino-4-[18F]fluorophenylthio)benzylamine as a serotonin transporter imaging agent. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20030201
Properties