2,4-DINITROANILINE

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

SMILES

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

InChI

InChIKey=LXQOQPGNCGEELI-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Surface-assisted transient displacement charge technique. I. Photoinduced charge transfer in self-assembled monolayers.	2006 Sep 14	16956284
Theoretical simulation of vibrational sum-frequency generation spectra from density functional theory: application to p-nitrothiophenol and 2,4-dinitroaniline.	2009 Aug 24	19514032
Liquid-phase microextraction and fibre-optics-based cuvetteless CCD-array micro-spectrophotometry for trace analysis.	2009 Aug 26	19646583
Toxic masking and synergistic modulation of the estrogenic activity of chemical mixtures in a yeast estrogen screen (YES).	2009 Jul	19499261

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Patents

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Name

Type

Language

NSC-8731

Preferred Name

English

2,4-DINITROANILINE

Systematic Name

English

BENZENAMINE, 2,4-DINITRO-

Systematic Name

English

2,4-DINITROANILINE [MI]

Common Name

English

2,4-DINITROBENZAMINE

Common Name

English

Showing 1 to 5 of 5 entries

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Code System

Code

Type

Description

WIKIPEDIA

2,4-Dinitroaniline

PRIMARY

CHEBI

34242

PRIMARY

CAS

97-02-9

PRIMARY

FDA UNII

5BI780R6W6

PRIMARY

EPA CompTox

DTXSID1021823

PRIMARY

Showing 1 to 5 of 11 entries

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SUBSTANCE RECORD


					5BI780R6W6

2,4-DINITROANILINE