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

CAS: 1124-33-0 Cat. No.: N119979 Peso molecular: 140.1 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181970
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=C[N+](=CC=C1[N+](=O)[O-])[O-]
• WGK Alemania: 3
• RTECS: UT6380000
• Número ONU: 2811
• Grupo de embalaje: 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
    • Clase 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
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°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