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Home Nitro Compounds 68906-21-8
68906-21-8,MFCD04039616
Catalog No.:AA005N50

68906-21-8 | 4-Methyl-5-nitrobenzene-1,2-diol

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Purity
Availability
Price(USD)
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1g
95%
in stock  
$19.00   $14.00
- +
5g
95%
in stock  
$57.00   $40.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005N50
Chemical Name:
4-Methyl-5-nitrobenzene-1,2-diol
CAS Number:
68906-21-8
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD04039616
SMILES:
[O-][N+](=O)c1cc(O)c(cc1C)O
Properties
Properties
 
Form:
Solid  
MP:
>130ºC (dec.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Galmarini[AnalesdeslaAsociacionQuimicaArgentina,1951,vol.39,p.92,96]

[1]Cardwell;Robinson[JournaloftheChemicalSociety,1915,vol.107,p.258]

68906-21-8    108-24-7   
4,5-diacetoxy-2-nitro-toluene 

[1]Burtonetal.[JournaloftheChemicalSociety,1950,p.1062,1063]

[1]Burtonetal.[JournaloftheChemicalSociety,1950,p.1062,1063]

[1]Palumbo,Anna;Napolitano,Alessandra;D'Ischia,Marco[BioorganicandMedicinalChemistryLetters,2002,vol.12,#1,p.13-16]

[2]Cousin[AnnalesdeChimie(Cachan,France),1898,vol.<7>13,p.497]Cousin[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1892,vol.115,p.234][BulletindelaSocieteChimiquedeFrance,1893,vol.<3>9,p.53]

[3]Napolitano,Alessandra;d'Ischia,Marco;Costantini,Claudio;Prota,Giuseppe[Tetrahedron,1992,vol.48,#39,p.8515-8522]

[4]Roman,Claudiu;Roman,Tiberiu;Arsene,Cecilia;Bejan,Iustinian-Gabriel;Olariu,Romeo-Iulian[SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,2022,vol.265]

Literature

Title: Methyl-nitrocatechols: atmospheric tracer compounds for biomass burning secondary organic aerosols.

Journal: Environmental science & technology 20101115

Title: Enzymatic biosensor for the electrochemical detection of 2,4-dinitrotoluene biodegradation derivatives.

Journal: Talanta 20060227

Title: TNT and nitroaromatic compounds are chemoattractants for Burkholderia cepacia R34 and Burkholderia sp. strain DNT.

Journal: Applied microbiology and biotechnology 20051201

Title: Saturation mutagenesis of 2,4-DNT dioxygenase of Burkholderia sp. strain DNT for enhanced dinitrotoluene degradation.

Journal: Biotechnology and bioengineering 20051120

Title: Microbial consortia that degrade 2,4-DNT by interspecies metabolism: isolation and characterisation.

Journal: Biodegradation 20030101

Title: Origins of the 2,4-dinitrotoluene pathway.

Journal: Journal of bacteriology 20020801

Title: Nitrocatechols versus nitrocatecholamines as novel competitive inhibitors of neuronal nitric oxide synthase: lack of the aminoethyl side chain determines loss of tetrahydrobiopterin-antagonizing properties.

Journal: Bioorganic & medicinal chemistry letters 20020107

Title: Oxidative conversion of 6-nitrocatecholamines to nitrosating products: a possible contributory factor in nitric oxide and catecholamine neurotoxicity associated with oxidative stress and acidosis.

Journal: Chemical research in toxicology 20010901

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