3-Methoxy-4-nitropyridine 1-oxide - ≥95% , CAS No.19355-04-5

CAS: 19355-04-5 Cat. No.: M587915 Peso molecular: 170.12

GRADE & PURITY ≥95%

Synonyms

SCHEMBL2885107 | 3-Methoxy-4-nitropyridine N-oxide | 3-Methoxy-4-nitro-1-oxo-1lambda~5~-pyridine | FT-0731387 | SY317056 | 3-Methoxy-4-nitropyridine-N-oxide | DTXSID70563738 | D70704 | YTTSNODVMTUELN-UHFFFAOYSA-N | 3-methoxy-4-nitro-1-oxido-pyridin-1-ium

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL2885107 | 3-Methoxy-4-nitropyridine N-oxide | 3-Methoxy-4-nitro-1-oxo-1lambda~5~-pyridine | FT-0731387 | SY317056 | 3-Methoxy-4-nitropyridine-N-oxide | DTXSID70563738 | D70704 | YTTSNODVMTUELN-UHFFFAOYSA-N | 3-methoxy-4-nitro-1-oxido-pyridin-1-ium

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]
• IUPAC Name: 3-methoxy-4-nitro-1-oxidopyridin-1-ium
• InChIKey: YTTSNODVMTUELN-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O4/c1-12-6-4-7(9)3-2-5(6)8(10)11/h2-4H,1H3
• Isómeros SMILES: COC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]
• CAS alternativo: 19355-04-5
• Peso molecular: 170.12
• Reaxy-Rn: 162823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162823&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: 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: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Pyridine - Pyridinium - Heteroaromatic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic cation - 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

Propiedades químicas y físicas

• Peso molecular: 170.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.033 Da
• Monoisotopic Mass: 170.033 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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