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113964

Sigma-Aldrich

2-Bromo-4,6-dinitroaniline

94%

Linear Formula:
BrC6H2(NO2)2NH2
CAS Number:
Molecular Weight:
262.02
EC Number:
MDL number:
PubChem Substance ID:

assay

94%

mp

151-153 °C (lit.)

SMILES string

Nc1c(Br)cc(cc1[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

InChI key

KWMDHCLJYMVBNS-UHFFFAOYSA-N

General description

2-Bromo-4,6-dinitroaniline is an important metabolite of the azo dye Disperse Blue 79. It can be easily recognized by all rat monoclonal antibodies.

Application

2-Bromo-4,6-dinitroaniline was used as a model chemical in the inter-laboratory evaluation of the bioluminescent Salmonella reverse mutation assay for detecting mutagenicity.

Certificate of Analysis

Certificate of Origin

H M Chopade et al.
Journal of toxicology and environmental health, 17(1), 37-50 (1986-01-01)
The disposition of [14C]-2-bromo-4,6-dinitroaniline (BDNA) was studied in male F344 rats following oral or intravenous (iv) administration. The gastrointestinal absorption of BDNA was nearly complete and was not affected by dose in the range (10-100 mumol/kg body weight) studied. Following...
Hui Peng et al.
Environmental science & technology, 50(23), 12669-12677 (2016-12-10)
Characterization of toxicological profiles by use of traditional targeted strategies might underestimate the risk of environmental mixtures. Unbiased identification of prioritized compounds provides a promising strategy for meeting regulatory needs. In this study, untargeted screening of brominated compounds in house...
Joel Ackerman et al.
Mutagenesis, 24(5), 433-438 (2009-07-08)
We have developed the bioluminescent Salmonella reverse mutation assay as a tool for detecting mutagenicity applicable for high-throughput screening of new chemicals. In this study, we report the inter-laboratory evaluation of the assay using 10 model chemicals in five independent...
Petra M Krämer et al.
Analytical and bioanalytical chemistry, 391(5), 1821-1835 (2008-05-28)
The development and characterization of one rat monoclonal antibody (mAb) for 2,4-dinitroaniline and of two rat mAbs for 2,6-dinitroaniline are described. With the immunization of rats with 2,4,6-trinitrophenyl-glycylglycine-keyhole limpet hemocyanine (KLH) conjugate one mAb (PK 5H6) has been developed and...

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