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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N2O2.ClH
Molecular Weight 188.612
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-5-nitroaniline hydrochloride

SMILES

Cl.CC1=CC=C(C=C1N)[N+]([O-])=O

InChI

InChIKey=YTODVWJSAZXJHG-UHFFFAOYSA-N
InChI=1S/C7H8N2O2.ClH/c1-5-2-3-6(9(10)11)4-7(5)8;/h2-4H,8H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C7H8N2O2
Molecular Weight 152.1506
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Reduction and Acetylation of 2,4-Dinitrotoluene by a Pseudomonas aeruginosa Strain.
1996 Jul
Biotransformation patterns of 2,4,6-trinitrotoluene by aerobic bacteria.
1998 Jan
Liver dysfunction among workers handling 5-nitro-o-toluidine.
2002 Feb
Surfactant-assisted UV-photolysis of nitroarenes.
2002 Jan
Graphite-mediated reduction of 2,4-dinitrotoluene with elemental iron.
2002 May 15
Phytotransformation of 2,4-dinitrotoluene in arabidopsis thaliana: toxicity, fate, and gene expression studies in vitro.
2006 Nov-Dec
Establishment of an extraction method for the recovery of tattoo pigments from human skin using HPLC diode array detector technology.
2006 Sep 15
[5-nitro-toluidine induced subacute poisoning hepatopathy in 3 patients].
2007 Mar
Mobility and degradation of trinitrotoluene/metabolites in soil columns: effect of soil organic carbon content.
2008 Jun
A new class of functionalized polyoxometalates: synthesis, structure and preliminary antitumor activity studies of three arylimido substituted hexamolybdates bearing a strong electron-withdrawing nitro group, (Bu4N)2[Mo6O18([triple bond]NAr)] (Ar = 3-NO2-C6H4, 2-CH3-4-NO2-C6H3, 2-CH3-5-NO2-C6H3).
2008 Sep 21
On the electron density topology and electrostatic properties of nitroanilines. A theoretical investigation on m-nitroaniline and 2-methyl-5-nitroaniline crystals.
2009 Aug 27
Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate.
2009 Jul
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:31:17 GMT 2023
Edited
by admin
on Sat Dec 16 12:31:17 GMT 2023
Record UNII
VA82SU8KF8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methyl-5-nitroaniline hydrochloride
Systematic Name English
Benzenamine, 2-methyl-5-nitro-, monohydrochloride
Systematic Name English
5-Nitro-o-toluidine hydrochloride
Systematic Name English
Benzenamine, 2-methyl-5-nitro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4068618
Created by admin on Sat Dec 16 12:31:17 GMT 2023 , Edited by admin on Sat Dec 16 12:31:17 GMT 2023
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CAS
51085-52-0
Created by admin on Sat Dec 16 12:31:17 GMT 2023 , Edited by admin on Sat Dec 16 12:31:17 GMT 2023
PRIMARY
PUBCHEM
162624
Created by admin on Sat Dec 16 12:31:17 GMT 2023 , Edited by admin on Sat Dec 16 12:31:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-960-8
Created by admin on Sat Dec 16 12:31:17 GMT 2023 , Edited by admin on Sat Dec 16 12:31:17 GMT 2023
PRIMARY
FDA UNII
VA82SU8KF8
Created by admin on Sat Dec 16 12:31:17 GMT 2023 , Edited by admin on Sat Dec 16 12:31:17 GMT 2023
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