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Details

Stereochemistry ACHIRAL
Molecular Formula C6H3BrN2O4
Molecular Weight 247.003
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BROMO-2,4-DINITROBENZENE

SMILES

[O-][N+](=O)C1=CC(=C(Br)C=C1)[N+]([O-])=O

InChI

InChIKey=PBOPJYORIDJAFE-UHFFFAOYSA-N
InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

HIDE SMILES / InChI

Molecular Formula C6H3BrN2O4
Molecular Weight 247.003
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Glutathione metabolism in the HaCaT cell line as a model for the detoxification of the model sensitisers 2,4-dinitrohalobenzenes in human skin.
2015-08-19
Time dependence in mixture toxicity with soft electrophiles: 1. Combined effects of selected SN2- and SNAr-reactive agents with a nonpolar narcotic.
2007-04
Synthesis of N,N-dimethyl-2-(2-amino-4-[18F]fluorophenylthio)benzylamine as a serotonin transporter imaging agent.
2003-02
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:28:33 GMT 2025
Edited
by admin
on Mon Mar 31 19:28:33 GMT 2025
Record UNII
4MS3FTW380
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BROMO-2,4-DINITROBENZENE
Systematic Name English
NSC-3808
Preferred Name English
BROMO-2,4-DINITROBENZENE, 1-
Systematic Name English
Code System Code Type Description
FDA UNII
4MS3FTW380
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
PRIMARY
NSC
3808
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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PUBCHEM
11441
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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MESH
C011688
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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ECHA (EC/EINECS)
209-539-8
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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EPA CompTox
DTXSID3060403
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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CHEBI
58999
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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CAS
584-48-5
Created by admin on Mon Mar 31 19:28:33 GMT 2025 , Edited by admin on Mon Mar 31 19:28:33 GMT 2025
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