4-Nitropyridine N-oxide - ≥98% , CAS No.1124-33-0

CAS: 1124-33-0 Cat. No.: N119979 Fórmula: C₅H₄N₂O₃ Peso molecular: 140.1 Número CE: 214-395-4

GRADE & PURITY ≥98%

Synonyms

4-nitro-pyridine-N-oxide | 4-Nitropyridine-N-oxide | NCGC00248141-01 | ULB29Z652D | 4-Nitropyridine-1-oxide | WLN: T6NJ AO DNW | FT-0619296 | 4-nitropyridin-1-oxide | AKOS000281983 | RXKNNAKAVAHBNK-UHFFFAOYSA-N | 4-(Hydroxy(oxido)amino)-1lambda~5~-pyridin

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

4-Nitropyridine N-oxide has been reported as a quorum-sensing inhibitor, having IC50 value of 24μg/ml. Facile one-pot arylation and alkylation of 4-nitropyridine N-oxide has been reported. 4-Nitropyridine N-oxide can be prepared from pyridine by oxidation with peracetic acid and nitration. Primary photochemical process of 4-nitropyridine N-oxide has been investigated by steady-light irradiation and a flash spectroscopic method.

4-Nitropyridine N-oxide may be used in the preparation of several 4-substituted pyridine-N-oxides and pyridines.

Specifications

Sinónimos

4-nitro-pyridine-N-oxide | 4-Nitropyridine-N-oxide | NCGC00248141-01 | ULB29Z652D | 4-Nitropyridine-1-oxide | WLN: T6NJ AO DNW | FT-0619296 | 4-nitropyridin-1-oxide | AKOS000281983 | RXKNNAKAVAHBNK-UHFFFAOYSA-N | 4-(Hydroxy(oxido)amino)-1lambda~5~-pyridin

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488181970

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181970

Sorrisos canónicos

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

IUPAC Name

4-nitro-1-oxidopyridin-1-ium

InChIKey

RXKNNAKAVAHBNK-UHFFFAOYSA-N

INCHI

1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

SMILES isoméricas

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

WGK Alemanha

3

RTECS

UT6380000

Número UN

2811

Grupo de embalagem

I

Peso molecular

140.1

Reaxy-Rn

124331

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124331&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°C): 161°C
• Peso molecular: 140.100 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.022 Da
• Monoisotopic Mass: 140.022 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1