4-[hydroxy(oxo)ammonio]-2-nitro-phenolate;4-methoxypyridin-1-ium-1-amine - ≥97% , CAS No.877994-05-3

CAS: 877994-05-3 Cat. No.: N638416 PubChem CID: 86646288

GRADE & PURITY ≥97%

Synonyms

877994-05-3 | 4-[hydroxy(oxo)ammonio]-2-nitro-phenolate | 4-methoxypyridin-1-ium-1-amine | SCHEMBL3113445 | MFCD33022244 | D96577 | 2,4-dinitro-phenolate 1-amino-4-methoxy-pyridinium | 4-Methoxypyridin-1-ium-1-amine 4-[Hydroxy(oxo)ammonio]-2-nitro-phenola

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

877994-05-3 | 4-[hydroxy(oxo)ammonio]-2-nitro-phenolate | 4-methoxypyridin-1-ium-1-amine | SCHEMBL3113445 | MFCD33022244 | D96577 | 2, 4-dinitro-phenolate 1-amino-4-methoxy-pyridinium | 4-Methoxypyridin-1-ium-1-amine 4-[Hydroxy(oxo)ammonio]-2-nitro-phenola

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=CC=[N+](C=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]
• IUPAC Name: 2,4-dinitrophenolate;4-methoxypyridin-1-ium-1-amine
• InChIKey: GQBMXJBLDORDGT-UHFFFAOYSA-M
• INCHI: 1S/C6H4N2O5.C6H9N2O/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;1-9-6-2-4-8(7)5-3-6/h1-3,9H;2-5H,7H2,1H3/q;+1/p-1
• Isomeric SMILES: COC1=CC=[N+](C=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]
• PubChem CID: 86646288

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Phenoxides Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Phenoxide - Pyridine - Pyridinium - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y