U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H7N3O2
Molecular Weight 153.1387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITRO-O-PHENYLENEDIAMINE

SMILES

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

InChI

InChIKey=RAUWPNXIALNKQM-UHFFFAOYSA-N
InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2

HIDE SMILES / InChI
Molecular Formula C6H7N3O2
Molecular Weight 153.1387
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Enhancement of the morphological transformation of Syrian hamster embryo (SHE) cells by reducing incubation time of the target cells.
2004 Apr 14
A comparative study on the antimutagenicity of atorvastatin and lovastatin against directly acting mutagens.
2006 Jul
Oxidative DNA damage induced by hair dye components ortho-phenylenediamines and the enhancement by superoxide dismutase.
2006 Sep 5
Accurate reproduction of 161 small-molecule complex crystal structures using the EUDOC program: expanding the use of EUDOC to supramolecular chemistry.
2007 Jun 13
2-amino-4-nitroaniline, a known compound with unexpected properties.
2007 Oct 11
Evaluation of comparative and combined antimutagenic potential of vitamin C and vitamin E using histidine mutant Salmonella typhimurium strains.
2008 Jan
Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives.
2008 Jan
Determination of genotoxic, antigenotoxic and cytotoxic potential of the extract from lichen Cetraria aculeata (Schreb.) Fr. in vitro.
2008 Jan
Antioxidant and antimutagenic activities of Mexican oregano (Lippia graveolens Kunth).
2008 Mar
1-Methyl-6-nitro-1H-benzimidazole.
2008 Mar 5
Validation of an in vitro screening test for predicting the tumor promoting potential of chemicals based on gene expression.
2010 Apr
Antimutagenic and antioxidant potentials of Teucrium ramosissimum essential oil.
2010 Jul
Phlomis mauritanica extracts reduce the xanthine oxidase activity, scavenge the superoxide anions, and inhibit the aflatoxin B1-, sodium azide-, and 4-nitrophenyldiamine-induced mutagenicity in bacteria.
2010 Jun
4-Chloro-2-(6-nitro-1H-benzimidazol-2-yl)phenol N,N-dimethyl-form-amide solvate.
2010 Oct 20
Oxidative Stress Mechanisms Do Not Discriminate between Genotoxic and Nongenotoxic Liver Carcinogens.
2015 Aug 17
Patents

Patents

03935314
3
04029788
4
04195994
3
04204993
3
04393216
4
04540693
6
04716168
3
05089025
3
05541229
4
05571809
3
05629406
3
05654436
3
05780483
5
05864043
8
05886044
8
06005008
40
06114532
6
06174889
3
06316637
7
06391874
4
06403626
8
06436982
5
06444694
3
06452014
3
06495583
4
06596746
3
06821977
3
06828320
3
07071216
4
07176208
4
JP2000095654A
6
JP2000128750A
7
JP2003238370A
8
JP2003292425A
11
JP2005120103A
7
JP2007238573A
6
JP2007238574A
6
JP2008100922A
3
JPH04297470A
3
JPH04334313A
3
JPH05213834A
4
JPH0598166A
3
JPH06107530A
5
JPH07267831A
7
JPH07267833A
7
JPH07267834A
11
JPH10287535A
3
JPH11130639A
3
JPH11246370A
3
JPS55129271A
3
JPS57114579A
6
Substance Class Chemical
Created
by admin
on Sat Dec 16 20:07:34 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:34 GMT 2023
Record UNII
5A9AX7Y0TT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-NITRO-O-PHENYLENEDIAMINE
INCI   MI  
INCI  
Official Name English
4-nitro-o-phenylenediamine [WHO-DD]
Common Name English
4-NITRO-1,2-BENZENEDIAMINE
Systematic Name English
4-NITRO-O-PHENYLENEDIAMINE [INCI]
Common Name English
NSC-5378
Code English
O-PHENYLENEDIAMINE, 4-NITRO- [HSDB]
Common Name English
1,2-DIAMINO-4-NITROBENZENE
Systematic Name English
4-NITRO-1,2-DIAMINOBENZENE
Systematic Name English
NCI-C03941
Code English
1,2-DIAMINO-4-NITROBENZENE [IARC]
Common Name English
4-NITRO-O-PHENYLENEDIAMINE [MI]
Common Name English
4-NITRO-1,2-PHENYLENEDIAMINE
Systematic Name English
2-AMINO-4-NITROANILINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9020958
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
CAS
99-56-9
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
FDA UNII
5A9AX7Y0TT
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
NSC
5378
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
MERCK INDEX
m7980
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY Merck Index
CHEBI
67116
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
PUBCHEM
5111791
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
MESH
C012277
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
HSDB
2895
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-766-3
Created by admin on Sat Dec 16 20:07:35 GMT 2023 , Edited by admin on Sat Dec 16 20:07:35 GMT 2023
PRIMARY
Related Record Type Details
Structure of 4-NITRO-O-PHENYLENEDIAMINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of 4-NITRO-O-PHENYLENEDIAMINE SULFATE
SALT/SOLVATE -> PARENT
Structure of 4-NITRO-O-PHENYLENEDIAMINE DIHYDROCHLORIDE
SALT/SOLVATE -> PARENT
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