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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5N3O4
Molecular Weight 183.1216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DINITROANILINE

SMILES

NC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=MPBZUKLDHPOCLS-UHFFFAOYSA-N
InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2

HIDE SMILES / InChI

Molecular Formula C6H5N3O4
Molecular Weight 183.1216
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Comprehensive non-targeted analysis of contaminated groundwater of a former ammunition destruction site using 1H-NMR and HPLC-SPE-NMR/TOF-MS.
2009-09-15
The resolution of five racemic alpha-lactams by HPLC.
2008-02
Azoreductase from Rhodobacter sphaeroides AS1.1737 is a flavodoxin that also functions as nitroreductase and flavin mononucleotide reductase.
2007-10
Development of new rat monoclonal antibodies with different selectivities and sensitivities for 2,4,6-trinitrotoluene (TNT) and other nitroaromatic compounds.
2005-08
PnrA, a new nitroreductase-family enzyme in the TNT-degrading strain Pseudomonas putida JLR11.
2005-08
Rapid voltammetric determination of nitroaromatic explosives at electrochemically activated carbon-fibre electrodes.
2005-05
Assessing cytotoxicity of photosensitized transformation products of 2,4,6-trinitrotoluene (TNT) and atrazine with freshwater microbial assemblages.
2004-10
TNT biotransformation and detoxification by a Pseudomonas aeruginosa strain.
2003-10
Potential of activated carbon to decrease 2,4,6-trinitrotoluene toxicity and accelerate soil decontamination.
2001-05
Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline.
2001-04
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:45:53 GMT 2025
Edited
by admin
on Mon Mar 31 21:45:53 GMT 2025
Record UNII
0AHR6K1N73
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DINITROANILINE
Systematic Name English
NSC-284
Preferred Name English
1-AMINO-3,5-DINITROBENZENE
Systematic Name English
ANILINE, 3,5-DINITRO-
Systematic Name English
BENZENAMINE, 3,5-DINITRO-
Systematic Name English
DINITROANILINE
Systematic Name English
(3,5-DINITROPHENYL)AMINE
Systematic Name English
Code System Code Type Description
FDA UNII
0AHR6K1N73
Created by admin on Mon Mar 31 21:45:53 GMT 2025 , Edited by admin on Mon Mar 31 21:45:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-567-8
Created by admin on Mon Mar 31 21:45:53 GMT 2025 , Edited by admin on Mon Mar 31 21:45:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID0044151
Created by admin on Mon Mar 31 21:45:53 GMT 2025 , Edited by admin on Mon Mar 31 21:45:53 GMT 2025
PRIMARY
CAS
618-87-1
Created by admin on Mon Mar 31 21:45:53 GMT 2025 , Edited by admin on Mon Mar 31 21:45:53 GMT 2025
PRIMARY
PUBCHEM
12068
Created by admin on Mon Mar 31 21:45:53 GMT 2025 , Edited by admin on Mon Mar 31 21:45:53 GMT 2025
PRIMARY
NSC
284
Created by admin on Mon Mar 31 21:45:53 GMT 2025 , Edited by admin on Mon Mar 31 21:45:53 GMT 2025
PRIMARY